Reservoir computing, a recurrent neural network paradigm in which only the output layer is trained, has demonstrated remarkable performance on tasks such as prediction and control of nonlinear systems. Recently, it was demonstrated that adding time-shifts to the signals generated by a reservoir can provide large improvements in performance accuracy. In this work, we present a technique to choose the optimal time shifts. Our technique maximizes the rank of the reservoir matrix using a rank-revealing QR algorithm and is not task dependent. Further, our technique does not require a model of the system, and therefore is directly applicable to analog hardware reservoir computers. We demonstrate our time-shift optimization technique on two types of reservoir computer: one based on an opto-electronic oscillator and the traditional recurrent network with a $tanh$ activation function. We find that our technique provides improved accuracy over random time-shift selection in essentially all cases.

As machine learning being used increasingly in making high-stakes decisions, an arising challenge is to avoid unfair AI systems that lead to discriminatory decisions for protected population. A direct approach for obtaining a fair predictive model is to train the model through optimizing its prediction performance subject to fairness constraints, which achieves Pareto efficiency when trading off performance against fairness. Among various fairness metrics, the ones based on the area under the ROC curve (AUC) are emerging recently because they are threshold-agnostic and effective for unbalanced data. In this work, we formulate the training problem of a fairness-aware machine learning model as an AUC optimization problem subject to a class of AUC-based fairness constraints. This problem can be reformulated as a min-max optimization problem with min-max constraints, which we solve by stochastic first-order methods based on a new Bregman divergence designed for the special structure of the problem. We numerically demonstrate the effectiveness of our approach on real-world data under different fairness metrics.

In this paper, we build on advances introduced by the Deep Q-Networks (DQN) approach to extend the multi-objective tabular Reinforcement Learning (RL) algorithm W-learning to large state spaces. W-learning algorithm can naturally solve the competition between multiple single policies in multi-objective environments. However, the tabular version does not scale well to environments with large state spaces. To address this issue, we replace underlying Q-tables with DQN, and propose an addition of W-Networks, as a replacement for tabular weights (W) representations. We evaluate the resulting Deep W-Networks (DWN) approach in two widely-accepted multi-objective RL benchmarks: deep sea treasure and multi-objective mountain car. We show that DWN solves the competition between multiple policies while outperforming the baseline in the form of a DQN solution. Additionally, we demonstrate that the proposed algorithm can find the Pareto front in both tested environments.

Language-supervised vision models have recently attracted great attention in computer vision. A common approach to build such models is to use contrastive learning on paired data across the two modalities, as exemplified by Contrastive Language-Image Pre-Training (CLIP). In this paper, under linear representation settings, (i) we initiate the investigation of a general class of nonlinear loss functions for multimodal contrastive learning (MMCL) including CLIP loss and show its connection to singular value decomposition (SVD). Namely, we show that each step of loss minimization by gradient descent can be seen as performing SVD on a contrastive cross-covariance matrix. Based on this insight, (ii) we analyze the performance of MMCL. We quantitatively show that the feature learning ability of MMCL can be better than that of unimodal contrastive learning applied to each modality even under the presence of wrongly matched pairs. This characterizes the robustness of MMCL to noisy data. Furthermore, when we have access to additional unpaired data, (iii) we propose a new MMCL loss that incorporates additional unpaired datasets. We show that the algorithm can detect the ground-truth pairs and improve performance by fully exploiting unpaired datasets. The performance of the proposed algorithm was verified by numerical experiments.

Understanding when and how much a model gradient leaks information about the training sample is an important question in privacy. In this paper, we present a surprising result: even without training or memorizing the data, we can fully reconstruct the training samples from a single gradient query at a randomly chosen parameter value. We prove the identifiability of the training data under mild conditions: with shallow or deep neural networks and a wide range of activation functions. We also present a statistically and computationally efficient algorithm based on tensor decomposition to reconstruct the training data. As a provable attack that reveals sensitive training data, our findings suggest potential severe threats to privacy, especially in federated learning.

We explore the efficacy of multimodal behavioral cues for explainable prediction of personality and interview-specific traits. We utilize elementary head-motion units named kinemes, atomic facial movements termed action units and speech features to estimate these human-centered traits. Empirical results confirm that kinemes and action units enable discovery of multiple trait-specific behaviors while also enabling explainability in support of the predictions. For fusing cues, we explore decision and feature-level fusion, and an additive attention-based fusion strategy which quantifies the relative importance of the three modalities for trait prediction. Examining various long-short term memory (LSTM) architectures for classification and regression on the MIT Interview and First Impressions Candidate Screening (FICS) datasets, we note that: (1) Multimodal approaches outperform unimodal counterparts; (2) Efficient trait predictions and plausible explanations are achieved with both unimodal and multimodal approaches, and (3) Following the thin-slice approach, effective trait prediction is achieved even from two-second behavioral snippets.

Deep learning training is an expensive process that extensively uses GPUs, but not all model training saturates the modern powerful GPUs. Multi-Instance GPU (MIG) is a new technology introduced by NVIDIA that can partition a GPU to better fit workloads that don't require all the memory and compute resources of a full GPU. In this paper, we examine the performance of a MIG-enabled A100 GPU under deep learning workloads of three sizes focusing on image recognition training with ResNet models. We investigate the behavior of these workloads when running in isolation on a variety of MIG instances allowed by the GPU in addition to running them in parallel on homogeneous instances co-located on the same GPU. Our results demonstrate that employing MIG can significantly improve the utilization of the GPU when the workload is too small to utilize the whole GPU in isolation. By training multiple small models in parallel, more work can be performed by the GPU per unit of time, despite the increase in time-per-epoch, leading to $\sim$3 times the throughput. In contrast, for medium and large-sized workloads, which already utilize the whole GPU well on their own, MIG only provides marginal performance improvements. Nevertheless, we observe that training models in parallel using separate MIG partitions does not exhibit interference underlining the value of having a functionality like MIG on modern GPUs.

In recent years, reinforcement learning and bandits have transformed a wide range of real-world applications including healthcare, finance, recommendation systems, robotics, and last but not least, the speech and natural language processing. While most speech and language applications of reinforcement learning algorithms are centered around improving the training of deep neural networks with its flexible optimization properties, there are still many grounds to explore to utilize the benefits of reinforcement learning, such as its reward-driven adaptability, state representations, temporal structures and generalizability. In this survey, we present an overview of recent advancements of reinforcement learning and bandits, and discuss how they can be effectively employed to solve speech and natural language processing problems with models that are adaptive, interactive and scalable.

Despite the empirical advances of deep learning across a variety of learning tasks, our theoretical understanding of its success is still very restricted. One of the key challenges is the overparametrized nature of modern models, enabling complete overfitting of the data even if the labels are randomized, i.e. networks can completely \textit{memorize} all given patterns. While such a memorization capacity seems worrisome, in this work we show that under training protocols that include \textit{data augmentation}, neural networks learn to memorize entirely random labels in a benign way, i.e. they learn embeddings that lead to highly non-trivial performance under nearest neighbour probing. We demonstrate that deep models have the surprising ability to separate noise from signal by distributing the task of memorization and feature learning to different layers. As a result, only the very last layers are used for memorization, while preceding layers encode performant features which remain largely unaffected by the label noise. We explore the intricate role of the augmentations used for training and identify a memorization-generalization trade-off in terms of their diversity, marking a clear distinction to all previous works. Finally, we give a first explanation for the emergence of benign memorization by showing that \textit{malign} memorization under data augmentation is infeasible due to the insufficient capacity of the model for the increased sample size. As a consequence, the network is forced to leverage the correlated nature of the augmentations and as a result learns meaningful features. To complete the picture, a better theory of feature learning in deep neural networks is required to fully understand the origins of this phenomenon.

Bayesian Optimization is a useful tool for experiment design. Unfortunately, the classical, sequential setting of Bayesian Optimization does not translate well into laboratory experiments, for instance battery design, where measurements may come from different sources and their evaluations may require significant waiting times. Multi-fidelity Bayesian Optimization addresses the setting with measurements from different sources. Asynchronous batch Bayesian Optimization provides a framework to select new experiments before the results of the prior experiments are revealed. This paper proposes an algorithm combining multi-fidelity and asynchronous batch methods. We empirically study the algorithm behavior, and show it can outperform single-fidelity batch methods and multi-fidelity sequential methods. As an application, we consider designing electrode materials for optimal performance in pouch cells using experiments with coin cells to approximate battery performance.

This paper explores semi-supervised training for sequence tasks, such as Optical Character Recognition or Automatic Speech Recognition. We propose a novel loss function $\unicode{x2013}$ SoftCTC $\unicode{x2013}$ which is an extension of CTC allowing to consider multiple transcription variants at the same time. This allows to omit the confidence based filtering step which is otherwise a crucial component of pseudo-labeling approaches to semi-supervised learning. We demonstrate the effectiveness of our method on a challenging handwriting recognition task and conclude that SoftCTC matches the performance of a finely-tuned filtering based pipeline. We also evaluated SoftCTC in terms of computational efficiency, concluding that it is significantly more efficient than a na\"ive CTC-based approach for training on multiple transcription variants, and we make our GPU implementation public.

The development of efficient sampling algorithms catering to non-Euclidean geometries has been a challenging endeavor, as discretization techniques which succeed in the Euclidean setting do not readily carry over to more general settings. We develop a non-Euclidean analog of the recent proximal sampler of [LST21], which naturally induces regularization by an object known as the log-Laplace transform (LLT) of a density. We prove new mathematical properties (with an algorithmic flavor) of the LLT, such as strong convexity-smoothness duality and an isoperimetric inequality, which are used to prove a mixing time on our proximal sampler matching [LST21] under a warm start. As our main application, we show our warm-started sampler improves the value oracle complexity of differentially private convex optimization in $\ell_p$ and Schatten-$p$ norms for $p \in [1, 2]$ to match the Euclidean setting [GLL22], while retaining state-of-the-art excess risk bounds [GLLST23]. We find our investigation of the LLT to be a promising proof-of-concept of its utility as a tool for designing samplers, and outline directions for future exploration.

Object detection is a key function in machine perception. Usually, their performance is evaluated based on accuracy metrics such as mean Average Precision (mAP). In this paper, we examine object detectors by their safety in the context of Autonomous Driving (AD). More concretely, we find mAP, which in turn employs the Intersection-over-Union (IoU) measure, not particularly suitable for the notion of safety in AD. Instead, we propose a novel safety metric as a more direct safety reflector, using the Intersection-over-Ground-Truth (IoGT) measure and a distance ratio between predictions and ground truths. We also formulate a safety-aware loss function that can improve an object detector and significantly reduce its unsafe predictions, compared to ordinary ones such as the SmoothL1 loss. Our experiments with open-sourced models and two datasets demonstrate the validity of our consideration and proposals.

Neural processes (NPs) are models for transfer learning with properties reminiscent of Gaussian Processes (GPs). They are adept at modelling data consisting of few observations of many related functions on the same input space and are trained by minimizing a variational objective, which is computationally much less expensive than the Bayesian updating required by GPs. So far, most studies of NPs have focused on low-dimensional datasets which are not representative of realistic transfer learning tasks. Drug discovery is one application area that is characterized by datasets consisting of many chemical properties or functions which are sparsely observed, yet depend on shared features or representations of the molecular inputs. This paper applies the conditional neural process (CNP) to DOCKSTRING, a dataset of docking scores for benchmarking ML models. CNPs show competitive performance in few-shot learning tasks relative to supervised learning baselines common in chemoinformatics, as well as an alternative model for transfer learning based on pre-training and refining neural network regressors. We present a Bayesian optimization experiment which showcases the probabilistic nature of CNPs and discuss shortcomings of the model in uncertainty quantification.

Adaptive mesh refinement (AMR) is necessary for efficient finite element simulations of complex physical phenomenon, as it allocates limited computational budget based on the need for higher or lower resolution, which varies over space and time. We present a novel formulation of AMR as a fully-cooperative Markov game, in which each element is an independent agent who makes refinement and de-refinement choices based on local information. We design a novel deep multi-agent reinforcement learning (MARL) algorithm called Value Decomposition Graph Network (VDGN), which solves the two core challenges that AMR poses for MARL: posthumous credit assignment due to agent creation and deletion, and unstructured observations due to the diversity of mesh geometries. For the first time, we show that MARL enables anticipatory refinement of regions that will encounter complex features at future times, thereby unlocking entirely new regions of the error-cost objective landscape that are inaccessible by traditional methods based on local error estimators. Comprehensive experiments show that VDGN policies significantly outperform error threshold-based policies in global error and cost metrics. We show that learned policies generalize to test problems with physical features, mesh geometries, and longer simulation times that were not seen in training. We also extend VDGN with multi-objective optimization capabilities to find the Pareto front of the tradeoff between cost and error.

To ensure the safety of railroad operations, it is important to monitor and forecast track geometry irregularities. A higher safety requires forecasting with higher spatiotemporal frequencies, which in turn requires capturing spatial correlations. Additionally, track geometry irregularities are influenced by multiple exogenous factors. In this study, a method is proposed to forecast one type of track geometry irregularity, vertical alignment, by incorporating spatial and exogenous factor calculations. The proposed method embeds exogenous factors and captures spatiotemporal correlations using a convolutional long short-term memory. The proposed method is also experimentally compared with other methods in terms of the forecasting performance. Additionally, an ablation study on exogenous factors is conducted to examine their individual contributions to the forecasting performance. The results reveal that spatial calculations and maintenance record data improve the forecasting of vertical alignment.

The extragradient method has recently gained increasing attention, due to its convergence behavior on smooth games. In $n$-player differentiable games, the eigenvalues of the Jacobian of the vector field are distributed on the complex plane. Thus, compared to classical (i.e., single player) minimization, games exhibit more convoluted dynamics, where the extragradient method succeeds while simple gradient method could fail. Yet, in this work, instead of focusing on a specific problem class, we follow a reverse path: starting from the momentum extragradient method as the selected optimizer, and using polynomial-based analyses, we identify problem subclasses where the use of momentum in extragradient motions lead to optimal performance. Based on the hyperparameter setup, we show that the extragradient with momentum exhibits three different modes of convergence: when the eigenvalues are distributed $i)$ on the real line, $ii)$ both on the real line along with complex conjugates, and $iii)$ only as complex conjugates. We then derive the optimal hyperparameters for each case, and show that it achieves an accelerated convergence rate.

We study the statistical properties of learning to defer (L2D) to multiple experts. In particular, we address the open problems of deriving a consistent surrogate loss, confidence calibration, and principled ensembling of experts. Firstly, we derive two consistent surrogates -- one based on a softmax parameterization, the other on a one-vs-all (OvA) parameterization -- that are analogous to the single expert losses proposed by Mozannar and Sontag (2020) and Verma and Nalisnick (2022), respectively. We then study the frameworks' ability to estimate P( m_j = y | x ), the probability that the jth expert will correctly predict the label for x. Theory shows the softmax-based loss causes mis-calibration to propagate between the estimates while the OvA-based loss does not (though in practice, we find there are trade offs). Lastly, we propose a conformal inference technique that chooses a subset of experts to query when the system defers. We perform empirical validation on tasks for galaxy, skin lesion, and hate speech classification.

Artificial intelligence (AI) systems can provide many beneficial capabilities but also risks of adverse events. Some AI systems could present risks of events with very high or catastrophic consequences at societal scale. The US National Institute of Standards and Technology (NIST) has been developing the NIST Artificial Intelligence Risk Management Framework (AI RMF) as voluntary guidance on AI risk assessment and management for AI developers and others. For addressing risks of events with catastrophic consequences, NIST indicated a need to translate from high level principles to actionable risk management guidance. In this document, we provide detailed actionable-guidance recommendations focused on identifying and managing risks of events with very high or catastrophic consequences, intended as a risk management practices resource for NIST for AI RMF version 1.0 (released in January 2023), or for AI RMF users, or for other AI risk management guidance and standards as appropriate. We also provide our methodology for our recommendations. We provide actionable-guidance recommendations for AI RMF 1.0 on: identifying risks from potential unintended uses and misuses of AI systems; including catastrophic-risk factors within the scope of risk assessments and impact assessments; identifying and mitigating human rights harms; and reporting information on AI risk factors including catastrophic-risk factors. In addition, we provide recommendations on additional issues for a roadmap for later versions of the AI RMF or supplementary publications. These include: providing an AI RMF Profile with supplementary guidance for cutting-edge increasingly multi-purpose or general-purpose AI. We aim for this work to be a concrete risk-management practices contribution, and to stimulate constructive dialogue on how to address catastrophic risks and associated issues in AI standards.

It is known that gradient-based MCMC samplers for continuous spaces, such as Langevin Monte Carlo (LMC), can be derived as particle versions of a gradient flow that minimizes KL divergence on a Wasserstein manifold. The superior efficiency of such samplers has motivated several recent attempts to generalize LMC to discrete spaces. However, a fully principled extension of Langevin dynamics to discrete spaces has yet to be achieved, due to the lack of well-defined gradients in the sample space. In this work, we show how the Wasserstein gradient flow can be generalized naturally to discrete spaces. Given the proposed formulation, we demonstrate how a discrete analogue of Langevin dynamics can subsequently be developed. With this new understanding, we reveal how recent gradient-based samplers in discrete spaces can be obtained as special cases by choosing particular discretizations. More importantly, the framework also allows for the derivation of novel algorithms, one of which, \textit{Discrete Langevin Monte Carlo} (DLMC), is obtained by a factorized estimate of the transition matrix. The DLMC method admits a convenient parallel implementation and time-uniform sampling that achieves larger jump distances. We demonstrate the advantages of DLMC on various binary and categorical distributions.

The rapid growth and deployment of deep learning (DL) has witnessed emerging privacy and security concerns. To mitigate these issues, secure multi-party computation (MPC) has been discussed, to enable the privacy-preserving DL computation. In practice, they often come at very high computation and communication overhead, and potentially prohibit their popularity in large scale systems. Two orthogonal research trends have attracted enormous interests in addressing the energy efficiency in secure deep learning, i.e., overhead reduction of MPC comparison protocol, and hardware acceleration. However, they either achieve a low reduction ratio and suffer from high latency due to limited computation and communication saving, or are power-hungry as existing works mainly focus on general computing platforms such as CPUs and GPUs. In this work, as the first attempt, we develop a systematic framework, PolyMPCNet, of joint overhead reduction of MPC comparison protocol and hardware acceleration, by integrating hardware latency of the cryptographic building block into the DNN loss function to achieve high energy efficiency, accuracy, and security guarantee. Instead of heuristically checking the model sensitivity after a DNN is well-trained (through deleting or dropping some non-polynomial operators), our key design principle is to em enforce exactly what is assumed in the DNN design -- training a DNN that is both hardware efficient and secure, while escaping the local minima and saddle points and maintaining high accuracy. More specifically, we propose a straight through polynomial activation initialization method for cryptographic hardware friendly trainable polynomial activation function to replace the expensive 2P-ReLU operator. We develop a cryptographic hardware scheduler and the corresponding performance model for Field Programmable Gate Arrays (FPGA) platform.

Synthetic data generated by generative models can enhance the performance and capabilities of data-hungry deep learning models in medical imaging. However, there is (1) limited availability of (synthetic) datasets and (2) generative models are complex to train, which hinders their adoption in research and clinical applications. To reduce this entry barrier, we propose medigan, a one-stop shop for pretrained generative models implemented as an open-source framework-agnostic Python library. medigan allows researchers and developers to create, increase, and domain-adapt their training data in just a few lines of code. Guided by design decisions based on gathered end-user requirements, we implement medigan based on modular components for generative model (i) execution, (ii) visualisation, (iii) search & ranking, and (iv) contribution. The library's scalability and design is demonstrated by its growing number of integrated and readily-usable pretrained generative models consisting of 21 models utilising 9 different Generative Adversarial Network architectures trained on 11 datasets from 4 domains, namely, mammography, endoscopy, x-ray, and MRI. Furthermore, 3 applications of medigan are analysed in this work, which include (a) enabling community-wide sharing of restricted data, (b) investigating generative model evaluation metrics, and (c) improving clinical downstream tasks. In (b), extending on common medical image synthesis assessment and reporting standards, we show Fr\'echet Inception Distance variability based on image normalisation and radiology-specific feature extraction.

Safe deployment of time-series classifiers for real-world applications relies on the ability to detect the data which is not generated from the same distribution as training data. This task is referred to as out-of-distribution (OOD) detection. We consider the novel problem of OOD detection for the time-series domain. We discuss the unique challenges posed by time-series data and explain why prior methods from the image domain will perform poorly. Motivated by these challenges, this paper proposes a novel {\em Seasonal Ratio Scoring (SRS)} approach. SRS consists of three key algorithmic steps. First, each input is decomposed into class-wise semantic component and remainder. Second, this decomposition is employed to estimate the class-wise conditional likelihoods of the input and remainder using deep generative models. The seasonal ratio score is computed from these estimates. Third, a threshold interval is identified from the in-distribution data to detect OOD examples. Experiments on diverse real-world benchmarks demonstrate that the SRS method is well-suited for time-series OOD detection when compared to baseline methods. Open-source code for SRS method is provided at https://github.com/tahabelkhouja/SRS

Deep neural networks trained end-to-end to map a measurement of a (noisy) image to a clean image perform excellent for a variety of linear inverse problems. Current methods are only trained on a few hundreds or thousands of images as opposed to the millions of examples deep networks are trained on in other domains. In this work, we study whether major performance gains are expected from scaling up the training set size. We consider image denoising, accelerated magnetic resonance imaging, and super-resolution and empirically determine the reconstruction quality as a function of training set size, while simultaneously scaling the network size. For all three tasks we find that an initially steep power-law scaling slows significantly already at moderate training set sizes. Interpolating those scaling laws suggests that even training on millions of images would not significantly improve performance. To understand the expected behavior, we analytically characterize the performance of a linear estimator learned with early stopped gradient descent. The result formalizes the intuition that once the error induced by learning the signal model is small relative to the error floor, more training examples do not improve performance.

A promising approach for scalable Gaussian processes (GPs) is the Karhunen-Lo\`eve (KL) decomposition, in which the GP kernel is represented by a set of basis functions which are the eigenfunctions of the kernel operator. Such decomposed kernels have the potential to be very fast, and do not depend on the selection of a reduced set of inducing points. However KL decompositions lead to high dimensionality, and variable selection becomes paramount. This paper reports a new method of forward variable selection, enabled by the ordered nature of the basis functions in the KL expansion of the Bayesian Smoothing Spline ANOVA kernel (BSS-ANOVA), coupled with fast Gibbs sampling in a fully Bayesian approach. It quickly and effectively limits the number of terms, yielding a method with competitive accuracies, training and inference times for tabular datasets of low feature set dimensionality. The inference speed and accuracy makes the method especially useful for dynamic systems identification, by modeling the dynamics in the tangent space as a static problem, then integrating the learned dynamics using a high-order scheme. The methods are demonstrated on two dynamic datasets: a `Susceptible, Infected, Recovered' (SIR) toy problem, with the transmissibility used as forcing function, along with the experimental `Cascaded Tanks' benchmark dataset. Comparisons on the static prediction of time derivatives are made with a random forest (RF), a residual neural network (ResNet), and the Orthogonal Additive Kernel (OAK) inducing points scalable GP, while for the timeseries prediction comparisons are made with LSTM and GRU recurrent neural networks (RNNs) along with the SINDy package.

Human similarity judgments are a powerful supervision signal for machine learning applications based on techniques such as contrastive learning, information retrieval, and model alignment, but classical methods for collecting human similarity judgments are too expensive to be used at scale. Recent methods propose using pre-trained deep neural networks (DNNs) to approximate human similarity, but pre-trained DNNs may not be available for certain domains (e.g., medical images, low-resource languages) and their performance in approximating human similarity has not been extensively tested. We conducted an evaluation of 611 pre-trained models across three domains -- images, audio, video -- and found that there is a large gap in performance between human similarity judgments and pre-trained DNNs. To address this gap, we propose a new class of similarity approximation methods based on language. To collect the language data required by these new methods, we also developed and validated a novel adaptive tag collection pipeline. We find that our proposed language-based methods are significantly cheaper, in the number of human judgments, than classical methods, but still improve performance over the DNN-based methods. Finally, we also develop `stacked' methods that combine language embeddings with DNN embeddings, and find that these consistently provide the best approximations for human similarity across all three of our modalities. Based on the results of this comprehensive study, we provide a concise guide for researchers interested in collecting or approximating human similarity data. To accompany this guide, we also release all of the similarity and language data, a total of 206,339 human judgments, that we collected in our experiments, along with a detailed breakdown of all modeling results.

Within the coming decades, artificial general intelligence (AGI) may surpass human capabilities at a wide range of important tasks. We outline a case for expecting that, without substantial effort to prevent it, AGIs could learn to pursue goals which are undesirable (i.e. misaligned) from a human perspective. We argue that if AGIs are trained in ways similar to today's most capable models, they could learn to act deceptively to receive higher reward, learn internally-represented goals which generalize beyond their training distributions, and pursue those goals using power-seeking strategies. We outline how the deployment of misaligned AGIs might irreversibly undermine human control over the world, and briefly review research directions aimed at preventing this outcome.

Ensemble clustering integrates a set of base clustering results to generate a stronger one. Existing methods usually rely on a co-association (CA) matrix that measures how many times two samples are grouped into the same cluster according to the base clusterings to achieve ensemble clustering. However, when the constructed CA matrix is of low quality, the performance will degrade. In this paper, we propose a simple yet effective CA matrix self-enhancement framework that can improve the CA matrix to achieve better clustering performance. Specifically, we first extract the high-confidence (HC) information from the base clusterings to form a sparse HC matrix. By propagating the highly-reliable information of the HC matrix to the CA matrix and complementing the HC matrix according to the CA matrix simultaneously, the proposed method generates an enhanced CA matrix for better clustering. Technically, the proposed model is formulated as a symmetric constrained convex optimization problem, which is efficiently solved by an alternating iterative algorithm with convergence and global optimum theoretically guaranteed. Extensive experimental comparisons with twelve state-of-the-art methods on eight benchmark datasets substantiate the effectiveness, flexibility and efficiency of the proposed model in ensemble clustering. The codes and datasets can be downloaded at https://github.com/Siritao/EC-CMS.

Bayesian optimization is a sequential procedure for obtaining the global optimum of black-box functions without knowing a priori their true form. Good uncertainty estimates over the shape of the objective function are essential in guiding the optimization process. However, these estimates can be inaccurate if the true objective function violates assumptions made by its model (e.g., Gaussianity). This paper studies which uncertainties are needed in Bayesian optimization models and argues that ideal uncertainties should be calibrated -- i.e., an 80% predictive interval should contain the true outcome 80% of the time. We propose a simple algorithm for enforcing this property and show that it enables Bayesian optimization to arrive at the global optimum in fewer steps. We provide theoretical insights into the role of calibrated uncertainties and demonstrate the improved performance of our method on standard benchmark functions and hyperparameter optimization tasks.

Click-through rate (CTR) prediction is a crucial task in web search, recommender systems, and online advertisement displaying. In practical application, CTR models often serve with high-speed user-generated data streams, whose underlying distribution rapidly changing over time. The concept drift problem inevitably exists in those streaming data, which can lead to performance degradation due to the timeliness issue. To ensure model freshness, incremental learning has been widely adopted in real-world production systems. However, it is hard for the incremental update to achieve the balance of the CTR models between the adaptability to capture the fast-changing trends and generalization ability to retain common knowledge. In this paper, we propose adaptive mixture of experts (AdaMoE), a new framework to alleviate the concept drift problem by statistical weighting policy in the data stream of CTR prediction. The extensive offline experiments on both benchmark and a real-world industrial dataset, as well as an online A/B testing show that our AdaMoE significantly outperforms all incremental learning frameworks considered.

Due to the comprehensive nature of this paper, it has been updated and split into two separate papers: "A Framework For Benchmarking Class-out-of-distribution Detection And Its Application To ImageNet" and "What Can We Learn From The Selective Prediction And Uncertainty Estimation Performance Of 523 Imagenet Classifiers". We recommend reading them instead. Deep neural networks must be equipped with an uncertainty estimation mechanism when deployed for risk-sensitive tasks. This paper studies the relationship between deep architectures and their training regimes with their corresponding selective prediction and uncertainty estimation performance. We consider both in-distribution uncertainties and class-out-of-distribution ones. Moreover, we consider some of the most popular estimation performance metrics previously proposed including AUROC, ECE, AURC, and coverage for selective accuracy constraint. We present a novel and comprehensive study of selective prediction and the uncertainty estimation performance of 484 existing pretrained deep ImageNet classifiers that are available at popular repositories. We identify numerous and previously unknown factors that affect uncertainty estimation and examine the relationships between the different metrics. We find that distillation-based training regimes consistently yield better uncertainty estimations than other training schemes such as vanilla training, pretraining on a larger dataset and adversarial training. We also provide strong empirical evidence showing that ViT is by far the most superior architecture in terms of uncertainty estimation performance, judging by any aspect, in both in-distribution and class-out-of-distribution scenarios.

This paper presents a new approach to the FNC-1 fake news classification task which involves employing pre-trained encoder models from similar NLP tasks, namely sentence similarity and natural language inference, and two neural network architectures using this approach are proposed. Methods in data augmentation are explored as a means of tackling class imbalance in the dataset, employing common pre-existing methods and proposing a method for sample generation in the under-represented class using a novel sentence negation algorithm. Comparable overall performance with existing baselines is achieved, while significantly increasing accuracy on an under-represented but nonetheless important class for FNC-1.

Energy-Based Models (EBMs) have proven to be a highly effective approach for modelling densities on finite-dimensional spaces. Their ability to incorporate domain-specific choices and constraints into the structure of the model through composition make EBMs an appealing candidate for applications in physics, biology and computer vision and various other fields. Recently, Energy-Based Processes (EBP) for modelling stochastic processes was proposed for \textit{unconditional} exchangeable data (e.g., point clouds). In this work, we present a novel subclass of EBPs, called $\mathcal{F}$-EBM for \textit{conditional} exchangeable data, which is able to learn distributions of functions (such as curves or surfaces) from functional samples evaluated at finitely many points. Two unique challenges arise in the functional context. Firstly, training data is often not evaluated along a fixed set of points. Secondly, steps must be taken to control the behaviour of the model between evaluation points, to mitigate overfitting. The proposed model is an energy based model on function space that is decomposed spectrally, where a Gaussian Process path measure is used to reweight the distribution to capture smoothness properties of the underlying process being modelled. The resulting model has the ability to utilize irregularly sampled training data and can output predictions at any resolution, providing an effective approach to up-scaling functional data. We demonstrate the efficacy of our proposed approach for modelling a range of datasets, including data collected from Standard and Poor's 500 (S\&P) and UK National grid.

As machine learning becomes more widespread throughout society, aspects including data privacy and fairness must be carefully considered, and are crucial for deployment in highly regulated industries. Unfortunately, the application of privacy enhancing technologies can worsen unfair tendencies in models. In particular, one of the most widely used techniques for private model training, differentially private stochastic gradient descent (DPSGD), frequently intensifies disparate impact on groups within data. In this work we study the fine-grained causes of unfairness in DPSGD and identify gradient misalignment due to inequitable gradient clipping as the most significant source. This observation leads us to a new method for reducing unfairness by preventing gradient misalignment in DPSGD.

We present a method to approximate Gaussian process regression models for large datasets by considering only a subset of the data. Our approach is novel in that the size of the subset is selected on the fly during exact inference with little computational overhead. From an empirical observation that the log-marginal likelihood often exhibits a linear trend once a sufficient subset of a dataset has been observed, we conclude that many large datasets contain redundant information that only slightly affects the posterior. Based on this, we provide probabilistic bounds on the full model evidence that can identify such subsets. Remarkably, these bounds are largely composed of terms that appear in intermediate steps of the standard Cholesky decomposition, allowing us to modify the algorithm to adaptively stop the decomposition once enough data have been observed.

Cutting plane selection is a subroutine used in all modern mixed-integer linear programming solvers with the goal of selecting a subset of generated cuts that induce optimal solver performance. These solvers have millions of parameter combinations, and so are excellent candidates for parameter tuning. Cut selection scoring rules are usually weighted sums of different measurements, where the weights are parameters. We present a parametric family of mixed-integer linear programs together with infinitely many family-wide valid cuts. Some of these cuts can induce integer optimal solutions directly after being applied, while others fail to do so even if an infinite amount are applied. We show for a specific cut selection rule, that any finite grid search of the parameter space will always miss all parameter values, which select integer optimal inducing cuts in an infinite amount of our problems. We propose a variation on the design of existing graph convolutional neural networks, adapting them to learn cut selection rule parameters. We present a reinforcement learning framework for selecting cuts, and train our design using said framework over MIPLIB 2017 and a neural network verification data set. Our framework and design show that adaptive cut selection does substantially improve performance over a diverse set of instances, but that finding a single function describing such a rule is difficult. Code for reproducing all experiments is available at https://github.com/Opt-Mucca/Adaptive-Cutsel-MILP.

Model-free continuous control for robot navigation tasks using Deep Reinforcement Learning (DRL) that relies on noisy policies for exploration is sensitive to the density of rewards. In practice, robots are usually deployed in cluttered environments, containing many obstacles and narrow passageways. Designing dense effective rewards is challenging, resulting in exploration issues during training. Such a problem becomes even more serious when tasks are described using temporal logic specifications. This work presents a deep policy gradient algorithm for controlling a robot with unknown dynamics operating in a cluttered environment when the task is specified as a Linear Temporal Logic (LTL) formula. To overcome the environmental challenge of exploration during training, we propose a novel path planning-guided reward scheme by integrating sampling-based methods to effectively complete goal-reaching missions. To facilitate LTL satisfaction, our approach decomposes the LTL mission into sub-goal-reaching tasks that are solved in a distributed manner. Our framework is shown to significantly improve performance (effectiveness, efficiency) and exploration of robots tasked with complex missions in large-scale cluttered environments. A video demonstration can be found on YouTube Channel: https://youtu.be/yMh_NUNWxho.

We consider the problem of content caching at the wireless edge to serve a set of end users via unreliable wireless channels so as to minimize the average latency experienced by end users due to the constrained wireless edge cache capacity. We formulate this problem as a Markov decision process, or more specifically a restless multi-armed bandit problem, which is provably hard to solve. We begin by investigating a discounted counterpart, and prove that it admits an optimal policy of the threshold-type. We then show that this result also holds for average latency problem. Using this structural result, we establish the indexability of our problem, and employ the Whittle index policy to minimize average latency. Since system parameters such as content request rates and wireless channel conditions are often unknown and time-varying, we further develop a model-free reinforcement learning algorithm dubbed as Q^{+}-Whittle that relies on Whittle index policy. However, Q^{+}-Whittle requires to store the Q-function values for all state-action pairs, the number of which can be extremely large for wireless edge caching. To this end, we approximate the Q-function by a parameterized function class with a much smaller dimension, and further design a Q^{+}-Whittle algorithm with linear function approximation, which is called Q^{+}-Whittle-LFA. We provide a finite-time bound on the mean-square error of Q^{+}-Whittle-LFA. Simulation results using real traces demonstrate that Q^{+}-Whittle-LFA yields excellent empirical performance.

Inferring causal structures from experimentation is a central task in many domains. For example, in biology, recent advances allow us to obtain single-cell expression data under multiple interventions such as drugs or gene knockouts. However, the targets of the interventions are often uncertain or unknown and the number of observations limited. As a result, standard causal discovery methods can no longer be reliably used. To fill this gap, we propose a Bayesian framework (BaCaDI) for discovering and reasoning about the causal structure that underlies data generated under various unknown experimental or interventional conditions. BaCaDI is fully differentiable, which allows us to infer the complex joint posterior over the intervention targets and the causal structure via efficient gradient-based variational inference. In experiments on synthetic causal discovery tasks and simulated gene-expression data, BaCaDI outperforms related methods in identifying causal structures and intervention targets.

Time-varying stochastic optimization problems frequently arise in machine learning practice (e.g. gradual domain shift, object tracking, strategic classification). Although most problems are solved in discrete time, the underlying process is often continuous in nature. We exploit this underlying continuity by developing predictor-corrector algorithms for time-varying stochastic optimizations. We provide error bounds for the iterates, both in presence of pure and noisy access to the queries from the relevant derivatives of the loss function. Furthermore, we show (theoretically and empirically in several examples) that our method outperforms non-predictor corrector methods that do not exploit the underlying continuous process.

This paper presents a motion data augmentation scheme incorporating motion synthesis encouraging diversity and motion correction imposing physical plausibility. This motion synthesis consists of our modified Variational AutoEncoder (VAE) and Inverse Kinematics (IK). In this VAE, our proposed sampling-near-samples method generates various valid motions even with insufficient training motion data. Our IK-based motion synthesis method allows us to generate a variety of motions semi-automatically. Since these two schemes generate unrealistic artifacts in the synthesized motions, our motion correction rectifies them. This motion correction scheme consists of imitation learning with physics simulation and subsequent motion debiasing. For this imitation learning, we propose the PD-residual force that significantly accelerates the training process. Furthermore, our motion debiasing successfully offsets the motion bias induced by imitation learning to maximize the effect of augmentation. As a result, our method outperforms previous noise-based motion augmentation methods by a large margin on both Recurrent Neural Network-based and Graph Convolutional Network-based human motion prediction models. The code is available at https://github.com/meaten/MotionAug.

Recent studies have shown that, like traditional machine learning, federated learning (FL) is also vulnerable to adversarial attacks. To improve the adversarial robustness of FL, federated adversarial training (FAT) methods have been proposed to apply adversarial training locally before global aggregation. Although these methods demonstrate promising results on independent identically distributed (IID) data, they suffer from training instability on non-IID data with label skewness, resulting in degraded natural accuracy. This tends to hinder the application of FAT in real-world applications where the label distribution across the clients is often skewed. In this paper, we study the problem of FAT under label skewness, and reveal one root cause of the training instability and natural accuracy degradation issues: skewed labels lead to non-identical class probabilities and heterogeneous local models. We then propose a Calibrated FAT (CalFAT) approach to tackle the instability issue by calibrating the logits adaptively to balance the classes. We show both theoretically and empirically that the optimization of CalFAT leads to homogeneous local models across the clients and better convergence points.

We consider a task of surveillance-evading path-planning in a continuous setting. An Evader strives to escape from a 2D domain while minimizing the risk of detection (and immediate capture). The probability of detection is path-dependent and determined by the spatially inhomogeneous surveillance intensity, which is fixed but a priori unknown and gradually learned in the multi-episodic setting. We introduce a Bayesian reinforcement learning algorithm that relies on a Gaussian Process regression (to model the surveillance intensity function based on the information from prior episodes), numerical methods for Hamilton-Jacobi PDEs (to plan the best continuous trajectories based on the current model), and Confidence Bounds (to balance the exploration vs exploitation). We use numerical experiments and regret metrics to highlight the significant advantages of our approach compared to traditional graph-based algorithms of reinforcement learning.

Understanding the convergence properties of learning dynamics in repeated auctions is a timely and important question in the area of learning in auctions, with numerous applications in, e.g., online advertising markets. This work focuses on repeated first price auctions where bidders with fixed values for the item learn to bid using mean-based algorithms -- a large class of online learning algorithms that include popular no-regret algorithms such as Multiplicative Weights Update and Follow the Perturbed Leader. We completely characterize the learning dynamics of mean-based algorithms, in terms of convergence to a Nash equilibrium of the auction, in two senses: (1) time-average: the fraction of rounds where bidders play a Nash equilibrium approaches 1 in the limit; (2)last-iterate: the mixed strategy profile of bidders approaches a Nash equilibrium in the limit. Specifically, the results depend on the number of bidders with the highest value: - If the number is at least three, the bidding dynamics almost surely converges to a Nash equilibrium of the auction, both in time-average and in last-iterate. - If the number is two, the bidding dynamics almost surely converges to a Nash equilibrium in time-average but not necessarily in last-iterate. - If the number is one, the bidding dynamics may not converge to a Nash equilibrium in time-average nor in last-iterate. Our discovery opens up new possibilities in the study of convergence dynamics of learning algorithms.

Machine learning models that are developed with invariance to certain types of data transformations have demonstrated superior generalization performance in practice. However, the underlying mechanism that explains why invariance leads to better generalization is not well-understood, limiting our ability to select appropriate data transformations for a given dataset. This paper studies the generalization benefit of model invariance by introducing the sample cover induced by transformations, i.e., a representative subset of a dataset that can approximately recover the whole dataset using transformations. Based on this notion, we refine the generalization bound for invariant models and characterize the suitability of a set of data transformations by the sample covering number induced by transformations, i.e., the smallest size of its induced sample covers. We show that the generalization bound can be tightened for suitable transformations that have a small sample covering number. Moreover, our proposed sample covering number can be empirically evaluated, providing a practical guide for selecting transformations to develop model invariance for better generalization. We evaluate the sample covering numbers for commonly used transformations on multiple datasets and demonstrate that the smaller sample covering number for a set of transformations indicates a smaller gap between the test and training error for invariant models, thus validating our propositions.

imbalanced-ensemble, abbreviated as imbens, is an open-source Python toolbox for leveraging the power of ensemble learning to address the class imbalance problem. It provides standard implementations of popular ensemble imbalanced learning (EIL) methods with extended features and utility functions. These ensemble methods include resampling-based, e.g., under/over-sampling, and reweighting-based, e.g., cost-sensitive learning. Beyond the implementation, we empower EIL algorithms with new functionalities like customizable resampling scheduler and verbose logging, thus enabling more flexible training and evaluating strategies. The package was developed under a simple, well-documented API design that follows scikit-learn for increased ease of use. imbens is released under the MIT open-source license and can be installed from Python Package Index (PyPI) or https://github.com/ZhiningLiu1998/imbalanced-ensemble.

The explosion of digital information and the growing involvement of people in social networks led to enormous research activity to develop methods that can extract meaningful information from interaction data. Commonly, interactions are represented by edges in a network or a graph, which implicitly assumes that the interactions are pairwise and static. However, real-world interactions deviate from these assumptions: (i) interactions can be multi-way, involving more than two nodes or individuals (e.g., family relationships, protein interactions), and (ii) interactions can change over a period of time (e.g., change of opinions and friendship status). While pairwise interactions have been studied in a dynamic network setting and multi-way interactions have been studied using hypergraphs in static networks, there exists no method, at present, that can predict multi-way interactions or hyperedges in dynamic settings. Existing related methods cannot answer temporal queries like what type of interaction will occur next and when it will occur. This paper proposes a temporal point process model for hyperedge prediction to address these problems. Our proposed model uses dynamic representation learning techniques for nodes in a neural point process framework to forecast hyperedges. We present several experimental results and set benchmark results. As far as our knowledge, this is the first work that uses the temporal point process to forecast hyperedges in dynamic networks.

Bayesian optimization over the latent spaces of deep autoencoder models (DAEs) has recently emerged as a promising new approach for optimizing challenging black-box functions over structured, discrete, hard-to-enumerate search spaces (e.g., molecules). Here the DAE dramatically simplifies the search space by mapping inputs into a continuous latent space where familiar Bayesian optimization tools can be more readily applied. Despite this simplification, the latent space typically remains high-dimensional. Thus, even with a well-suited latent space, these approaches do not necessarily provide a complete solution, but may rather shift the structured optimization problem to a high-dimensional one. In this paper, we propose LOL-BO, which adapts the notion of trust regions explored in recent work on high-dimensional Bayesian optimization to the structured setting. By reformulating the encoder to function as both an encoder for the DAE globally and as a deep kernel for the surrogate model within a trust region, we better align the notion of local optimization in the latent space with local optimization in the input space. LOL-BO achieves as much as 20 times improvement over state-of-the-art latent space Bayesian optimization methods across six real-world benchmarks, demonstrating that improvement in optimization strategies is as important as developing better DAE models.

Neural network implementations are known to be vulnerable to physical attack vectors such as fault injection attacks. As of now, these attacks were only utilized during the inference phase with the intention to cause a misclassification. In this work, we explore a novel attack paradigm by injecting faults during the training phase of a neural network in a way that the resulting network can be attacked during deployment without the necessity of further faulting. In particular, we discuss attacks against ReLU activation functions that make it possible to generate a family of malicious inputs, which are called fooling inputs, to be used at inference time to induce controlled misclassifications. Such malicious inputs are obtained by mathematically solving a system of linear equations that would cause a particular behaviour on the attacked activation functions, similar to the one induced in training through faulting. We call such attacks fooling backdoors as the fault attacks at the training phase inject backdoors into the network that allow an attacker to produce fooling inputs. We evaluate our approach against multi-layer perceptron networks and convolutional networks on a popular image classification task obtaining high attack success rates (from 60% to 100%) and high classification confidence when as little as 25 neurons are attacked while preserving high accuracy on the originally intended classification task.

Flow-based models typically define a latent space with dimensionality identical to the observational space. In many problems, however, the data does not populate the full ambient data space that they natively reside in, rather inhabiting a lower-dimensional manifold. In such scenarios, flow-based models are unable to represent data structures exactly as their densities will always have support off the data manifold, potentially resulting in degradation of model performance. To address this issue, we propose to learn a manifold prior for flow models that leverage the recently proposed spread divergence towards fixing the crucial problem; the KL divergence and maximum likelihood estimation are ill-defined for manifold learning. In addition to improving both sample quality and representation quality, an auxiliary benefit enabled by our approach is the ability to identify the intrinsic dimension of the manifold distribution.

We study a pricing setting where each customer is offered a contextualized price based on customer and/or product features. Often only historical sales data are available, so we observe whether a customer purchased a product at the price prescribed rather than the customer's true valuation. Such observational data are influenced by historical pricing policies, which introduce difficulties in evaluating the effectiveness of future policies. The goal of this paper is to formulate loss functions that can be used for evaluating pricing policies directly from observational data, rather than going through an intermediate demand estimation stage, which may suffer from bias. To achieve this, we adapt ideas from machine learning with corrupted labels, where we consider each observed purchase decision as a known probabilistic transformation of the customer's valuation. From this transformation, we derive a class of unbiased loss functions. Within this class, we identify minimum variance estimators and estimators robust to poor demand estimation. Furthermore, we show that for contextual pricing, estimators popular in the off-policy evaluation literature fall within this class of loss functions. We offer managerial insights into scenarios under which these estimators are effective.

The recent explosion of interest in multimodal applications has resulted in a wide selection of datasets and methods for representing and integrating information from different signals. Despite these empirical advances, there remain fundamental research questions: how can we quantify the nature of interactions that exist among input features? Subsequently, how can we capture these interactions using suitable data-driven methods? To answer this question, we propose an information-theoretic approach to quantify the degree of redundancy, uniqueness, and synergy across input features, which we term the PID statistics of a multimodal distribution. Using 2 newly proposed estimators that scale to high-dimensional distributions, we demonstrate their usefulness in quantifying the interactions within multimodal datasets, the nature of interactions captured by multimodal models, and principled approaches for model selection. We conduct extensive experiments on both synthetic datasets where the PID statistics are known and on large-scale multimodal benchmarks where PID estimation was previously impossible. Finally, to demonstrate the real-world applicability of our approach, we present three case studies in pathology, mood prediction, and robotic perception where our framework accurately recommends strong multimodal models for each application.

Unobserved confounding is one of the main challenges when estimating causal effects. We propose a causal reduction method that, given a causal model, replaces an arbitrary number of possibly high-dimensional latent confounders with a single latent confounder that takes values in the same space as the treatment variable, without changing the observational and interventional distributions the causal model entails. This allows us to estimate the causal effect in a principled way from combined data without relying on the common but often unrealistic assumption that all confounders have been observed. We apply our causal reduction in three different settings. In the first setting, we assume the treatment and outcome to be discrete. The causal reduction then implies bounds between the observational and interventional distributions that can be exploited for estimation purposes. In certain cases with highly unbalanced observational samples, the accuracy of the causal effect estimate can be improved by incorporating observational data. Second, for continuous variables and assuming a linear-Gaussian model, we derive equality constraints for the parameters of the observational and interventional distributions. Third, for the general continuous setting (possibly nonlinear and non-Gaussian), we parameterize the reduced causal model using normalizing flows, a flexible class of easily invertible nonlinear transformations. We perform a series of experiments on synthetic data and find that in several cases the number of interventional samples can be reduced when adding observational training samples without sacrificing accuracy.

To improve the performance of Linear Discriminant Analysis (LDA) for early detection of diseases using Electronic Health Records (EHR) data, we propose \TheName{} -- a novel framework for \emph{\underline{E}HR based \underline{E}arly \underline{D}etection of \underline{D}iseases} on top of \emph{Covariance-Regularized} LDA models. Specifically, \TheName\ employs a \emph{non-sparse} inverse covariance matrix (or namely precision matrix) estimator derived from graphical lasso and incorporates the estimator into LDA classifiers to improve classification accuracy. Theoretical analysis on \TheName\ shows that it can bound the expected error rate of LDA classification, under certain assumptions. Finally, we conducted extensive experiments using a large-scale real-world EHR dataset -- CHSN. We compared our solution with other regularized LDA and downstream classifiers. The result shows \TheName\ outperforms all baselines and backups our theoretical analysis.

We systematically analyze optimization dynamics in deep neural networks (DNNs) trained with stochastic gradient descent (SGD) over long time scales and study the effect of learning rate, depth, and width of the neural network. By analyzing the maximum eigenvalue $\lambda^H_t$ of the Hessian of the loss, which is a measure of sharpness of the loss landscape, we find that the dynamics can show four distinct regimes: (i) an early time transient regime, (ii) an intermediate saturation regime, (iii) a progressive sharpening regime, and finally (iv) a late time ``edge of stability" regime. The early and intermediate regimes (i) and (ii) exhibit a rich phase diagram depending on learning rate $\eta \equiv c/\lambda^H_0$, depth $d$, and width $w$. We identify several critical values of $c$ which separate qualitatively distinct phenomena in the early time dynamics of training loss and sharpness, and extract their dependence on $d/w$. Our results have implications for how to scale the learning rate with DNN depth and width in order to remain in the same phase of learning.

Despite the popularity of low-rank matrix completion, the majority of its theory has been developed under the assumption of random observation patterns, whereas very little is known about the practically relevant case of non-random patterns. Specifically, a fundamental yet largely open question is to describe patterns that allow for unique or finitely many completions. This paper provides two such families of patterns for any rank. A key to achieving this is a novel formulation of low-rank matrix completion in terms of Plucker coordinates, the latter a traditional tool in computer vision. This connection is of potential significance to a wide family of matrix and subspace learning problems with incomplete data.

We introduce a deep learning model that can universally approximate regular conditional distributions (RCDs). The proposed model operates in three phases: first, it linearizes inputs from a given metric space $\mathcal{X}$ to $\mathbb{R}^d$ via a feature map, then a deep feedforward neural network processes these linearized features, and then the network's outputs are then transformed to the $1$-Wasserstein space $\mathcal{P}_1(\mathbb{R}^D)$ via a probabilistic extension of the attention mechanism of Bahdanau et al.\ (2014). Our model, called the \textit{probabilistic transformer (PT)}, can approximate any continuous function from $\mathbb{R}^d $ to $\mathcal{P}_1(\mathbb{R}^D)$ uniformly on compact sets, quantitatively. We identify two ways in which the PT avoids the curse of dimensionality when approximating $\mathcal{P}_1(\mathbb{R}^D)$-valued functions. The first strategy builds functions in $C(\mathbb{R}^d,\mathcal{P}_1(\mathbb{R}^D))$ which can be efficiently approximated by a PT, uniformly on any given compact subset of $\mathbb{R}^d$. In the second approach, given any function $f$ in $C(\mathbb{R}^d,\mathcal{P}_1(\mathbb{R}^D))$, we build compact subsets of $\mathbb{R}^d$ whereon $f$ can be efficiently approximated by a PT.

Shared autonomy is an operational concept in which a user and an autonomous agent collaboratively control a robotic system. It provides a number of advantages over the extremes of full-teleoperation and full-autonomy in many settings. Traditional approaches to shared autonomy rely on knowledge of the environment dynamics, a discrete space of user goals that is known a priori, or knowledge of the user's policy -- assumptions that are unrealistic in many domains. Recent works relax some of these assumptions by formulating shared autonomy with model-free deep reinforcement learning (RL). In particular, they no longer need knowledge of the goal space (e.g., that the goals are discrete or constrained) or environment dynamics. However, they need knowledge of a task-specific reward function to train the policy. Unfortunately, such reward specification can be a difficult and brittle process. On top of that, the formulations inherently rely on human-in-the-loop training, and that necessitates them to prepare a policy that mimics users' behavior. In this paper, we present a new approach to shared autonomy that employs a modulation of the forward and reverse diffusion process of diffusion models. Our approach does not assume known environment dynamics or the space of user goals, and in contrast to previous work, it does not require any reward feedback, nor does it require access to the user's policy during training. Instead, our framework learns a distribution over a space of desired behaviors. It then employs a diffusion model to translate the user's actions to a sample from this distribution. Crucially, we show that it is possible to carry out this process in a manner that preserves the user's control authority. We evaluate our framework on a series of challenging continuous control tasks, and analyze its ability to effectively correct user actions while maintaining their autonomy.

We make progress towards characterizing the algebraic matroid of the determinantal variety defined by the minors of fixed size of a matrix of variables. Our main result is a novel family of base sets of the matroid, which characterizes the matroid in special cases. Our approach relies on the combinatorial notion of relaxed supports of linkage matching fields that we introduce, our interpretation of the problem of completing a matrix of bounded rank from a subset of its entries as a linear section problem on the Grassmannian, and a connection that we draw with a class of local coordinates on the Grassmannian described by Sturmfels and Zelevinsky in 1993.

The subject of non-stationary bandit learning has attracted much recent attention. However, non-stationary bandits lack a formal definition. Loosely speaking, non-stationary bandits have typically been characterized in the literature as those for which the reward distribution changes over time. We demonstrate that this informal definition is ambiguous. Further, a widely-used notion of regret -- the dynamic regret -- is motivated by this ambiguous definition and thus problematic. In particular, even for an optimal agent, dynamic regret can suggest poor performance. The ambiguous definition also motivates a measure of the degree of non-stationarity experienced by a bandit, which often overestimates and can give rise to extremely loose regret bounds. The primary contribution of this paper is a formal definition that resolves ambiguity. This definition motivates a new notion of regret, an alternative measure of the degree of non-stationarity, and a regret analysis that leads to tighter bounds for non-stationary bandit learning. The regret analysis applies to any bandit, stationary or non-stationary, and any agent.

To protect user privacy and meet legal regulations, federated learning (FL) is attracting significant attention. Training neural machine translation (NMT) models with traditional FL algorithm (e.g., FedAvg) typically relies on multi-round model-based interactions. However, it is impractical and inefficient for machine translation tasks due to the vast communication overheads and heavy synchronization. In this paper, we propose a novel federated nearest neighbor (FedNN) machine translation framework that, instead of multi-round model-based interactions, leverages one-round memorization-based interaction to share knowledge across different clients to build low-overhead privacy-preserving systems. The whole approach equips the public NMT model trained on large-scale accessible data with a $k$-nearest-neighbor ($$kNN) classifier and integrates the external datastore constructed by private text data in all clients to form the final FL model. A two-phase datastore encryption strategy is introduced to achieve privacy-preserving during this process. Extensive experiments show that FedNN significantly reduces computational and communication costs compared with FedAvg, while maintaining promising performance in different FL settings.

Short-term load forecasting (STLF) is vital for the daily operation of power grids. However, the non-linearity, non-stationarity, and randomness characterizing electricity demand time series renders STLF a challenging task. To that end, different forecasting methods have been proposed in the literature for day-ahead load forecasting, including a variety of deep learning models that are currently considered to achieve state-of-the-art performance. In order to compare the accuracy of such models, we focus on national net aggregated STLF and examine well-established autoregressive neural networks of indicative architectures, namely multi-layer perceptrons, N-BEATS, long short-term memory neural networks, and temporal convolutional networks, for the case of Portugal. To investigate the factors that affect the performance of each model and identify the most appropriate per case, we also conduct a post-hoc analysis, correlating forecast errors with key calendar and weather features. Our results indicate that N-BEATS consistently outperforms the rest of the examined deep learning models. Additionally, we find that external factors can significantly impact accuracy, affecting both the actual and relative performance of the models.

The transferability of adversarial perturbations between image models has been extensively studied. In this case, an attack is generated from a known surrogate \eg, the ImageNet trained model, and transferred to change the decision of an unknown (black-box) model trained on an image dataset. However, attacks generated from image models do not capture the dynamic nature of a moving object or a changing scene due to a lack of temporal cues within image models. This leads to reduced transferability of adversarial attacks from representation-enriched \emph{image} models such as Supervised Vision Transformers (ViTs), Self-supervised ViTs (\eg, DINO), and Vision-language models (\eg, CLIP) to black-box \emph{video} models. In this work, we induce dynamic cues within the image models without sacrificing their original performance on images. To this end, we optimize \emph{temporal prompts} through frozen image models to capture motion dynamics. Our temporal prompts are the result of a learnable transformation that allows optimizing for temporal gradients during an adversarial attack to fool the motion dynamics. Specifically, we introduce spatial (image) and temporal (video) cues within the same source model through task-specific prompts. Attacking such prompts maximizes the adversarial transferability from image-to-video and image-to-image models using the attacks designed for image models. Our attack results indicate that the attacker does not need specialized architectures, \eg, divided space-time attention, 3D convolutions, or multi-view convolution networks for different data modalities. Image models are effective surrogates to optimize an adversarial attack to fool black-box models in a changing environment over time. Code is available at https://bit.ly/3Xd9gRQ

Predicting the binding sites of the target proteins plays a fundamental role in drug discovery. Most existing deep-learning methods consider a protein as a 3D image by spatially clustering its atoms into voxels and then feed the voxelized protein into a 3D CNN for prediction. However, the CNN-based methods encounter several critical issues: 1) defective in representing irregular protein structures; 2) sensitive to rotations; 3) insufficient to characterize the protein surface; 4) unaware of data distribution shift. To address the above issues, this work proposes EquiPocket, an E(3)-equivariant Graph Neural Network (GNN) for binding site prediction. In particular, EquiPocket consists of three modules: the first one to extract local geometric information for each surface atom, the second one to model both the chemical and spatial structure of the protein, and the last one to capture the geometry of the surface via equivariant message passing over the surface atoms. We further propose a dense attention output layer to better alleviate the data distribution shift effect incurred by the variable protein size. Extensive experiments on several representative benchmarks demonstrate the superiority of our framework to the state-of-the-art methods.

Multi-agent robotic systems are increasingly operating in real-world environments in close proximity to humans, yet are largely controlled by policy models with inscrutable deep neural network representations. We introduce a method for incorporating interpretable concepts from a domain expert into models trained through multi-agent reinforcement learning, by requiring the model to first predict such concepts then utilize them for decision making. This allows an expert to both reason about the resulting concept policy models in terms of these high-level concepts at run-time, as well as intervene and correct mispredictions to improve performance. We show that this yields improved interpretability and training stability, with benefits to policy performance and sample efficiency in a simulated and real-world cooperative-competitive multi-agent game.

Deep Learning-based Computer Vision field has recently been trying to explore larger kernels for convolution to effectively scale up Convolutional Neural Networks. Simultaneously, new paradigm of models such as Vision Transformers find it difficult to scale up to larger higher resolution images due to their quadratic complexity in terms of input sequence. In this report, Fast Fourier Transform is utilised in various ways to provide some solutions to these issues.

The development of the Internet of Things (IoT) has dramatically expanded our daily lives, playing a pivotal role in the enablement of smart cities, healthcare, and buildings. Emerging technologies, such as IoT, seek to improve the quality of service in cognitive cities. Although IoT applications are helpful in smart building applications, they present a real risk as the large number of interconnected devices in those buildings, using heterogeneous networks, increases the number of potential IoT attacks. IoT applications can collect and transfer sensitive data. Therefore, it is necessary to develop new methods to detect hacked IoT devices. This paper proposes a Feature Selection (FS) model based on Harris Hawks Optimization (HHO) and Random Weight Network (RWN) to detect IoT botnet attacks launched from compromised IoT devices. Distributed Machine Learning (DML) aims to train models locally on edge devices without sharing data to a central server. Therefore, we apply the proposed approach using centralized and distributed ML models. Both learning models are evaluated under two benchmark datasets for IoT botnet attacks and compared with other well-known classification techniques using different evaluation indicators. The experimental results show an improvement in terms of accuracy, precision, recall, and F-measure in most cases. The proposed method achieves an average F-measure up to 99.9\%. The results show that the DML model achieves competitive performance against centralized ML while maintaining the data locally.

Fine-grained anomaly detection has recently been dominated by segmentation based approaches. These approaches first classify each element of the sample (e.g., image patch) as normal or anomalous and then classify the entire sample as anomalous if it contains anomalous elements. However, such approaches do not extend to scenarios where the anomalies are expressed by an unusual combination of normal elements. In this paper, we overcome this limitation by proposing set features that model each sample by the distribution its elements. We compute the anomaly score of each sample using a simple density estimation method. Our simple-to-implement approach outperforms the state-of-the-art in image-level logical anomaly detection (+3.4%) and sequence-level time-series anomaly detection (+2.4%).

Deep generative models have shown impressive results in text-to-image synthesis. However, current text-to-image models often generate images that are inadequately aligned with text prompts. We propose a fine-tuning method for aligning such models using human feedback, comprising three stages. First, we collect human feedback assessing model output alignment from a set of diverse text prompts. We then use the human-labeled image-text dataset to train a reward function that predicts human feedback. Lastly, the text-to-image model is fine-tuned by maximizing reward-weighted likelihood to improve image-text alignment. Our method generates objects with specified colors, counts and backgrounds more accurately than the pre-trained model. We also analyze several design choices and find that careful investigations on such design choices are important in balancing the alignment-fidelity tradeoffs. Our results demonstrate the potential for learning from human feedback to significantly improve text-to-image models.

The political stance prediction for news articles has been widely studied to mitigate the echo chamber effect -- people fall into their thoughts and reinforce their pre-existing beliefs. The previous works for the political stance problem focus on (1) identifying political factors that could reflect the political stance of a news article and (2) capturing those factors effectively. Despite their empirical successes, they are not sufficiently justified in terms of how effective their identified factors are in the political stance prediction. Motivated by this, in this work, we conduct a user study to investigate important factors in political stance prediction, and observe that the context and tone of a news article (implicit) and external knowledge for real-world entities appearing in the article (explicit) are important in determining its political stance. Based on this observation, we propose a novel knowledge-aware approach to political stance prediction (KHAN), employing (1) hierarchical attention networks (HAN) to learn the relationships among words and sentences in three different levels and (2) knowledge encoding (KE) to incorporate external knowledge for real-world entities into the process of political stance prediction. Also, to take into account the subtle and important difference between opposite political stances, we build two independent political knowledge graphs (KG) (i.e., KG-lib and KG-con) by ourselves and learn to fuse the different political knowledge. Through extensive evaluations on three real-world datasets, we demonstrate the superiority of DASH in terms of (1) accuracy, (2) efficiency, and (3) effectiveness.

The Bayesian streaming tensor decomposition method is a novel method to discover the low-rank approximation of streaming data. However, when the streaming data comes from a high-order tensor, tensor structures of existing Bayesian streaming tensor decomposition algorithms may not be suitable in terms of representation and computation power. In this paper, we present a new Bayesian streaming tensor decomposition method based on tensor train (TT) decomposition. Especially, TT decomposition renders an efficient approach to represent high-order tensors. By exploiting the streaming variational inference (SVI) framework and TT decomposition, we can estimate the latent structure of high-order incomplete noisy streaming tensors. The experiments in synthetic and real-world data show the accuracy of our algorithm compared to the state-of-the-art Bayesian streaming tensor decomposition approaches.

Conformal prediction is a powerful distribution-free tool for uncertainty quantification, establishing valid prediction intervals with finite-sample guarantees. To produce valid intervals which are also adaptive to the difficulty of each instance, a common approach is to compute normalized nonconformity scores on a separate calibration set. Self-supervised learning has been effectively utilized in many domains to learn general representations for downstream predictors. However, the use of self-supervision beyond model pretraining and representation learning has been largely unexplored. In this work, we investigate how self-supervised pretext tasks can improve the quality of the conformal regressors, specifically by improving the adaptability of conformal intervals. We train an auxiliary model with a self-supervised pretext task on top of an existing predictive model and use the self-supervised error as an additional feature to estimate nonconformity scores. We empirically demonstrate the benefit of the additional information using both synthetic and real data on the efficiency (width), deficit, and excess of conformal prediction intervals.

Personalization in federated learning (FL) functions as a coordinator for clients with high variance in data or behavior. Ensuring the convergence of these clients' models relies on how closely users collaborate with those with similar patterns or preferences. However, it is generally challenging to quantify similarity under limited knowledge about other users' models given to users in a decentralized network. To cope with this issue, we propose a personalized and fully decentralized FL algorithm, leveraging knowledge distillation techniques to empower each device so as to discern statistical distances between local models. Each client device can enhance its performance without sharing local data by estimating the similarity between two intermediate outputs from feeding local samples as in knowledge distillation. Our empirical studies demonstrate that the proposed algorithm improves the test accuracy of clients in fewer iterations under highly non-independent and identically distributed (non-i.i.d.) data distributions and is beneficial to agents with small datasets, even without the need for a central server.

ChatGPT is a recent chatbot service released by OpenAI and is receiving increasing attention over the past few months. While evaluations of various aspects of ChatGPT have been done, its robustness, i.e., the performance when facing unexpected inputs, is still unclear to the public. Robustness is of particular concern in responsible AI, especially for safety-critical applications. In this paper, we conduct a thorough evaluation of the robustness of ChatGPT from the adversarial and out-of-distribution (OOD) perspective. To do so, we employ the AdvGLUE and ANLI benchmarks to assess adversarial robustness and the Flipkart review and DDXPlus medical diagnosis datasets for OOD evaluation. We select several popular foundation models as baselines. Results show that ChatGPT does not show consistent advantages on adversarial and OOD classification tasks, while performing well on translation tasks. This suggests that adversarial and OOD robustness remains a significant threat to foundation models. Moreover, ChatGPT shows astounding performance in understanding dialogue-related texts and we find that it tends to provide informal suggestions for medical tasks instead of definitive answers. Finally, we present in-depth discussions of possible research directions.

Novel Class Discovery (NCD) is a growing field where we are given during training a labeled set of known classes and an unlabeled set of different classes that must be discovered. In recent years, many methods have been proposed to address this problem, and the field has begun to mature. In this paper, we provide a comprehensive survey of the state-of-the-art NCD methods. We start by formally defining the NCD problem and introducing important notions. We then give an overview of the different families of approaches, organized by the way they transfer knowledge from the labeled set to the unlabeled set. We find that they either learn in two stages, by first extracting knowledge from the labeled data only and then applying it to the unlabeled data, or in one stage by conjointly learning on both sets. For each family, we describe their general principle and detail a few representative methods. Then, we briefly introduce some new related tasks inspired by the increasing number of NCD works. We also present some common tools and techniques used in NCD, such as pseudo labeling, self-supervised learning and contrastive learning. Finally, to help readers unfamiliar with the NCD problem differentiate it from other closely related domains, we summarize some of the closest areas of research and discuss their main differences.

Financial Distress Prediction plays a crucial role in the economy by accurately forecasting the number and probability of failing structures, providing insight into the growth and stability of a country's economy. However, predicting financial distress for Small and Medium Enterprises is challenging due to their inherent ambiguity, leading to increased funding costs and decreased chances of receiving funds. While several strategies have been developed for effective FCP, their implementation, accuracy, and data security fall short of practical applications. Additionally, many of these strategies perform well for a portion of the dataset but are not adaptable to various datasets. As a result, there is a need to develop a productive prediction model for better order execution and adaptability to different datasets. In this review, we propose a feature selection algorithm for FCP based on element credits and data source collection. Current financial distress prediction models rely mainly on financial statements and disregard the timeliness of organization tests. Therefore, we propose a corporate FCP model that better aligns with industry practice and incorporates the gathering of thin-head component analysis of financial data, corporate governance qualities, and market exchange data with a Relevant Vector Machine. Experimental results demonstrate that this strategy can improve the forecast efficiency of financial distress with fewer characteristic factors.

We address the issue of detecting changes of models that lie behind a data stream. The model refers to an integer-valued structural information such as the number of free parameters in a parametric model. Specifically we are concerned with the problem of how we can detect signs of model changes earlier than they are actualized. To this end, we employ {\em continuous model selection} on the basis of the notion of {\em descriptive dimensionality}~(Ddim). It is a real-valued model dimensionality, which is designed for quantifying the model dimensionality in the model transition period. Continuous model selection is to determine the real-valued model dimensionality in terms of Ddim from a given data. We propose a novel methodology for detecting signs of model changes by tracking the rise-up of Ddim in a data stream. We apply this methodology to detecting signs of changes of the number of clusters in a Gaussian mixture model and those of the order in an auto regression model. With synthetic and real data sets, we empirically demonstrate its effectiveness by showing that it is able to visualize well how rapidly model dimensionality moves in the transition period and to raise early warning signals of model changes earlier than they are detected with existing methods.

Extracting structured information from unstructured data is one of the key challenges in modern information retrieval applications, including e-commerce. Here, we demonstrate how recent advances in machine learning, combined with a recently published multilingual data set with standardized fine-grained product category information, enable robust product attribute extraction in challenging transfer learning settings. Our models can reliably predict product attributes across online shops, languages, or both. Furthermore, we show that our models can be used to match product taxonomies between online retailers.

We tackle the domain generalisation (DG) problem by posing it as a domain adaptation (DA) task where we adversarially synthesise the worst-case target domain and adapt a model to that worst-case domain, thereby improving the model's robustness. To synthesise data that is challenging yet semantics-preserving, we generate Fourier amplitude images and combine them with source domain phase images, exploiting the widely believed conjecture from signal processing that amplitude spectra mainly determines image style, while phase data mainly captures image semantics. To synthesise a worst-case domain for adaptation, we train the classifier and the amplitude generator adversarially. Specifically, we exploit the maximum classifier discrepancy (MCD) principle from DA that relates the target domain performance to the discrepancy of classifiers in the model hypothesis space. By Bayesian hypothesis modeling, we express the model hypothesis space effectively as a posterior distribution over classifiers given the source domains, making adversarial MCD minimisation feasible. On the DomainBed benchmark including the large-scale DomainNet dataset, the proposed approach yields significantly improved domain generalisation performance over the state-of-the-art.

Probabilistic circuits (PCs) are a prominent representation of probability distributions with tractable inference. While parameter learning in PCs is rigorously studied, structure learning is often more based on heuristics than on principled objectives. In this paper, we develop Bayesian structure scores for deterministic PCs, i.e., the structure likelihood with parameters marginalized out, which are well known as rigorous objectives for structure learning in probabilistic graphical models. When used within a greedy cutset algorithm, our scores effectively protect against overfitting and yield a fast and almost hyper-parameter-free structure learner, distinguishing it from previous approaches. In experiments, we achieve good trade-offs between training time and model fit in terms of log-likelihood. Moreover, the principled nature of Bayesian scores unlocks PCs for accommodating frameworks such as structural expectation-maximization.

Federated learning (FL) is recently surging as a promising decentralized deep learning (DL) framework that enables DL-based approaches trained collaboratively across clients without sharing private data. However, in the context of the central party being active and dishonest, the data of individual clients might be perfectly reconstructed, leading to the high possibility of sensitive information being leaked. Moreover, FL also suffers from the nonindependent and identically distributed (non-IID) data among clients, resulting in the degradation in the inference performance on local clients' data. In this paper, we propose a novel framework, namely Personalized Privacy-Preserving Federated Learning (PPPFL), with a concentration on cross-silo FL to overcome these challenges. Specifically, we introduce a stabilized variant of the Model-Agnostic Meta-Learning (MAML) algorithm to collaboratively train a global initialization from clients' synthetic data generated by Differential Private Generative Adversarial Networks (DP-GANs). After reaching convergence, the global initialization will be locally adapted by the clients to their private data. Through extensive experiments, we empirically show that our proposed framework outperforms multiple FL baselines on different datasets, including MNIST, Fashion-MNIST, CIFAR-10, and CIFAR-100.

Normalizing flows model probability distributions through an expressive tractable density. They transform a simple base distribution, such as a Gaussian, through a sequence of invertible functions, which are referred to as layers. These layers typically use neural networks to become very expressive. Flows are ubiquitous in machine learning and have been applied to image generation, text modeling, variational inference, approximating Boltzmann distributions, and many other problems. Here, we present normflows, a Python package for normalizing flows. It allows to build normalizing flow models from a suite of base distributions, flow layers, and neural networks. The package is implemented in the popular deep learning framework PyTorch, which simplifies the integration of flows in larger machine learning models or pipelines. It supports most of the common normalizing flow architectures, such as Real NVP, Glow, Masked Autoregressive Flows, Neural Spline Flows, Residual Flows, and many more. The package can be easily installed via pip and the code is publicly available on GitHub.

An Electroencephalogram (EEG) is a non-invasive exam that records the electrical activity of the brain. This exam is used to help diagnose conditions such as different brain problems. EEG signals are taken for the purpose of epilepsy detection and with Discrete Wavelet Transform (DWT) and machine learning classifier, they perform epilepsy detection. In Epilepsy seizure detection, mainly machine learning classifiers and statistical features are used. The hidden information in the EEG signal is useful for detecting diseases affecting the brain. Sometimes it is very difficult to identify the minimum changes in the EEG in time and frequency domains purpose. The DWT can give a good decomposition of the signals in different frequency bands and feature extraction. We use the tri-dimensionality reduction algorithm.; Principal Component Analysis (PCA), Independent Component Analysis (ICA) and Linear Discriminant Analysis (LDA). Finally, features are selected by using a fusion rule and at the last step three different classifiers Support Vector Machine (SVM), Naive Bayes (NB) and K-Nearest-Neighbor (KNN) has been used for the classification. The proposed framework is tested on the Bonn dataset and the simulation results provide the maximum accuracy for the combination of LDA and NB for 10-fold cross validation technique. It shows the maximum average sensitivity, specificity, accuracy, Precision and Recall of 100%, 100%, 100%, 100% and 100%. The results prove the effectiveness of this model.

In recent years, large strides have been taken in developing machine learning methods for dermatological applications, supported in part by the success of deep learning (DL). To date, diagnosing diseases from images is one of the most explored applications of DL within dermatology. Convolutional neural networks (ConvNets) are the most common (DL) method in medical imaging due to their training efficiency and accuracy, although they are often described as black boxes because of their limited explainability. One popular way to obtain insight into a ConvNet's decision mechanism is gradient class activation maps (Grad-CAM). A quantitative evaluation of the Grad-CAM explainability has been recently made possible by the release of DermXDB, a skin disease diagnosis explainability dataset which enables explainability benchmarking of ConvNet architectures. In this paper, we perform a literature review to identify the most common ConvNet architectures used for this task, and compare their Grad-CAM explanations with the explanation maps provided by DermXDB. We identified 11 architectures: DenseNet121, EfficientNet-B0, InceptionV3, InceptionResNetV2, MobileNet, MobileNetV2, NASNetMobile, ResNet50, ResNet50V2, VGG16, and Xception. We pre-trained all architectures on an clinical skin disease dataset, and fine-tuned them on a DermXDB subset. Validation results on the DermXDB holdout subset show an explainability F1 score of between 0.35-0.46, with Xception displaying the highest explainability performance. NASNetMobile reports the highest characteristic-level explainability sensitivity, despite it's mediocre diagnosis performance. These results highlight the importance of choosing the right architecture for the desired application and target market, underline need for additional explainability datasets, and further confirm the need for explainability benchmarking that relies on quantitative analyses.

This paper presents a method for time series forecasting with deep learning and its assessment on two datasets. The method starts with data preparation, followed by model training and evaluation. The final step is a visual inspection. Experimental work demonstrates that a single time series can be used to train deep learning networks if time series in a dataset contain patterns that repeat even with a certain variation. However, for less structured time series such as stock market closing prices, the networks perform just like a baseline that repeats the last observed value. The implementation of the method as well as the experiments are open-source.

Rapid advancements in artificial intelligence (AI) technology have brought about a plethora of new challenges in terms of governance and regulation. AI systems are being integrated into various industries and sectors, creating a demand from decision-makers to possess a comprehensive and nuanced understanding of the capabilities and limitations of these systems. One critical aspect of this demand is the ability to explain the results of machine learning models, which is crucial to promoting transparency and trust in AI systems, as well as fundamental in helping machine learning models to be trained ethically. In this paper, we present novel quantitative metrics frameworks for interpreting the predictions of classifier and regressor models. The proposed metrics are model agnostic and are defined in order to be able to quantify: i. the interpretability factors based on global and local feature importance distributions; ii. the variability of feature impact on the model output; and iii. the complexity of feature interactions within model decisions. We employ publicly available datasets to apply our proposed metrics to various machine learning models focused on predicting customers' credit risk (classification task) and real estate price valuation (regression task). The results expose how these metrics can provide a more comprehensive understanding of model predictions and facilitate better communication between decision-makers and stakeholders, thereby increasing the overall transparency and accountability of AI systems.

Normalizing Flows have emerged as a powerful brand of generative models, as they not only allow for efficient sampling of complicated target distributions, but also deliver density estimation by construction. We propose here an in-depth comparison of coupling and autoregressive flows, both of the affine and rational quadratic spline type, considering four different architectures: Real-valued Non-Volume Preserving (RealNVP), Masked Autoregressive Flow (MAF), Coupling Rational Quadratic Spline (C-RQS), and Autoregressive Rational Quadratic Spline (A-RQS). We focus on different target distributions of increasing complexity with dimensionality ranging from 4 to 1000. The performances are discussed in terms of different figures of merit: the one-dimensional Wasserstein distance, the one-dimensional Kolmogorov-Smirnov test, the Frobenius norm of the difference between correlation matrices, and the training time. Our results indicate that the A-RQS algorithm stands out both in terms of accuracy and training speed. Nonetheless, all the algorithms are generally able, without much fine-tuning, to learn complex distributions with limited training data and in a reasonable time, of the order of hours on a Tesla V100 GPU. The only exception is the C-RQS, which takes significantly longer to train, and does not always provide good accuracy. All algorithms have been implemented using TensorFlow2 and TensorFlow Probability and made available on GitHub.

Recent work has shown that representation learning plays a critical role in sample-efficient reinforcement learning (RL) from pixels. Unfortunately, in real-world scenarios, representation learning is usually fragile to task-irrelevant distractions such as variations in background or viewpoint.To tackle this problem, we propose a novel clustering-based approach, namely Clustering with Bisimulation Metrics (CBM), which learns robust representations by grouping visual observations in the latent space. Specifically, CBM alternates between two steps: (1) grouping observations by measuring their bisimulation distances to the learned prototypes; (2) learning a set of prototypes according to the current cluster assignments. Computing cluster assignments with bisimulation metrics enables CBM to capture task-relevant information, as bisimulation metrics quantify the behavioral similarity between observations. Moreover, CBM encourages the consistency of representations within each group, which facilitates filtering out task-irrelevant information and thus induces robust representations against distractions. An appealing feature is that CBM can achieve sample-efficient representation learning even if multiple distractions exist simultaneously.Experiments demonstrate that CBM significantly improves the sample efficiency of popular visual RL algorithms and achieves state-of-the-art performance on both multiple and single distraction settings. The code is available at https://github.com/MIRALab-USTC/RL-CBM.

Community is a fundamental and critical characteristic of an undirected social network, making community detection be a vital yet thorny issue in network representation learning. A symmetric and non-negative matrix factorization (SNMF) model is frequently adopted to address this issue owing to its great interpretability and scalability. However, it adopts a single latent factor matrix to represent an undirected network for precisely representing its symmetry, which leads to loss of representation learning ability due to the reduced latent space. Motivated by this discovery, this paper proposes a novel Constraints Fusion-induced Symmetric Nonnegative Matrix Factorization (CFS) model that adopts three-fold ideas: a) Representing a target undirected network with multiple latent factor matrices, thus preserving its representation learning capacity; b) Incorporating a symmetry-regularizer that preserves the symmetry of the learnt low-rank approximation to the adjacency matrix into the loss function, thus making the resultant detector well-aware of the target network's symmetry; and c) Introducing a graph-regularizer that preserves local invariance of the network's intrinsic geometry, thus making the achieved detector well-aware of community structure within the target network. Extensively empirical studies on eight real-world social networks from industrial applications demonstrate that the proposed CFS model significantly outperforms state-of-the-art models in achieving highly-accurate community detection results.

In this work, we investigate the implicit regularization induced by teacher-student learning dynamics. To isolate its effect, we describe a simple experiment where instead of trained teachers, we consider teachers at random initialization. Surprisingly, when distilling a student into such a random teacher, we observe that the resulting model and its representations already possess very interesting characteristics; (1) we observe a strong improvement of the distilled student over its teacher in terms of probing accuracy. (2) The learnt representations are highly transferable between different tasks but deteriorate strongly if trained on random inputs. (3) The student checkpoint suffices to discover so-called lottery tickets, i.e. it contains identifiable, sparse networks that are as performant as the full network. These observations have interesting consequences for several important areas in machine learning: (1) Self-distillation can work solely based on the implicit regularization present in the gradient dynamics without relying on any \textit{dark knowledge}, (2) self-supervised learning can learn features even in the absence of data augmentation and (3) SGD already becomes stable when initialized from the student checkpoint with respect to batch orderings. Finally, we shed light on an intriguing local property of the loss landscape: the process of feature learning is strongly amplified if the student is initialized closely to the teacher. This raises interesting questions about the nature of the landscape that have remained unexplored so far.

This paper describes SPINDLE - an open source Python module implementing an efficient and accurate parser for written Dutch that transforms raw text input to programs for meaning composition, expressed as {\lambda} terms. The parser integrates a number of breakthrough advances made in recent years. Its output consists of hi-res derivations of a multimodal type-logical grammar, capturing two orthogonal axes of syntax, namely deep function-argument structures and dependency relations. These are produced by three interdependent systems: a static type-checker asserting the well-formedness of grammatical analyses, a state-of-the-art, structurally-aware supertagger based on heterogeneous graph convolutions, and a massively parallel proof search component based on Sinkhorn iterations. Packed in the software are also handy utilities and extras for proof visualization and inference, intended to facilitate end-user utilization.

We consider a global representation of a regression or classification function by decomposing it into the sum of main and interaction components of arbitrary order. We propose a new identification constraint that allows for the extraction of interventional SHAP values and partial dependence plots, thereby unifying local and global explanations. With our proposed identification, a feature's partial dependence plot corresponds to the main effect term plus the intercept. The interventional SHAP value of feature $k$ is a weighted sum of the main component and all interaction components that include $k$, with the weights given by the reciprocal of the component's dimension. This brings a new perspective to local explanations such as SHAP values which were previously motivated by game theory only. We show that the decomposition can be used to reduce direct and indirect bias by removing all components that include a protected feature. Lastly, we motivate a new measure of feature importance. In principle, our proposed functional decomposition can be applied to any machine learning model, but exact calculation is only feasible for low-dimensional structures or ensembles of those. We provide an algorithm and efficient implementation for gradient-boosted trees (xgboost) and random planted forest. Conducted experiments suggest that our method provides meaningful explanations and reveals interactions of higher orders. The proposed methods are implemented in an R package, available at \url{https://github.com/PlantedML/glex}.

Usually standard algorithms employ a loss where each error is the mere absolute difference between the true value and the prediction, in case of a regression task. In the present, we introduce several error weighting schemes that are a generalization of the consolidated routine. We study both a binary classification model for Support Vector Classification and a regression net for Multi-layer Perceptron. Results proves that the error is never worse than the standard procedure and several times it is better.

We propose a tuning-free dynamic SGD step size formula, which we call Distance over Gradients (DoG). The DoG step sizes depend on simple empirical quantities (distance from the initial point and norms of gradients) and have no ``learning rate'' parameter. Theoretically, we show that a slight variation of the DoG formula enjoys strong parameter-free convergence guarantees for stochastic convex optimization assuming only \emph{locally bounded} stochastic gradients. Empirically, we consider a broad range of vision and language transfer learning tasks, and show that DoG's performance is close to that of SGD with tuned learning rate. We also propose a per-layer variant of DoG that generally outperforms tuned SGD, approaching the performance of tuned Adam.

Distinguishability and, by extension, observability are key properties of dynamical systems. Establishing these properties is challenging, especially when no analytical model is available and they are to be inferred directly from measurement data. The presence of noise further complicates this analysis, as standard notions of distinguishability are tailored to deterministic systems. We build on distributional distinguishability, which extends the deterministic notion by comparing distributions of outputs of stochastic systems. We first show that both concepts are equivalent for a class of systems that includes linear systems. We then present a method to assess and quantify distributional distinguishability from output data. Specifically, our quantification measures how much data is required to tell apart two initial states, inducing a continuous spectrum of distinguishability. We propose a statistical test to determine a threshold above which two states can be considered distinguishable with high confidence. We illustrate these tools by computing distinguishability maps over the state space in simulation, then leverage the test to compare sensor configurations on hardware.

Simulating the effects of skincare products on face is a potential new way to communicate the efficacy of skincare products in skin diagnostics and product recommendations. Furthermore, such simulations enable one to anticipate his/her skin conditions and better manage skin health. However, there is a lack of effective simulations today. In this paper, we propose the first simulation model to reveal facial pore changes after using skincare products. Our simulation pipeline consists of 2 steps: training data establishment and facial pore simulation. To establish training data, we collect face images with various pore quality indexes from short-term (8-weeks) clinical studies. People often experience significant skin fluctuations (due to natural rhythms, external stressors, etc.,), which introduces large perturbations in clinical data. To address this problem, we propose a sliding window mechanism to clean data and select representative index(es) to represent facial pore changes. Facial pore simulation stage consists of 3 modules: UNet-based segmentation module to localize facial pores; regression module to predict time-dependent warping hyperparameters; and deformation module, taking warping hyperparameters and pore segmentation labels as inputs, to precisely deform pores accordingly. The proposed simulation is able to render realistic facial pore changes. And this work will pave the way for future research in facial skin simulation and skincare product developments.

Synthetic image generation has opened up new opportunities but has also created threats in regard to privacy, authenticity, and security. Detecting fake images is of paramount importance to prevent illegal activities, and previous research has shown that generative models leave unique patterns in their synthetic images that can be exploited to detect them. However, the fundamental problem of generalization remains, as even state-of-the-art detectors encounter difficulty when facing generators never seen during training. To assess the generalizability and robustness of synthetic image detectors in the face of real-world impairments, this paper presents a large-scale dataset named ArtiFact, comprising diverse generators, object categories, and real-world challenges. Moreover, the proposed multi-class classification scheme, combined with a filter stride reduction strategy addresses social platform impairments and effectively detects synthetic images from both seen and unseen generators. The proposed solution outperforms other teams by 8.34% on Test 1, 1.26% on Test 2, and 15.08% on Test 3 in the IEEE VIP CUP at ICIP 2022.

In this study, we investigate the performance of the Metropolis-adjusted Langevin algorithm in a setting with constraints on the support of the target distribution. We provide a rigorous analysis of the resulting Markov chain, establishing its convergence and deriving an upper bound for its mixing time. Our results demonstrate that the Metropolis-adjusted Langevin algorithm is highly effective in handling this challenging situation: the mixing time bound we obtain is superior to the best known bounds for competing algorithms without an accept-reject step. Our numerical experiments support these theoretical findings, indicating that the Metropolis-adjusted Langevin algorithm shows promising performance when dealing with constraints on the support of the target distribution.

In active learning, acquisition functions define informativeness directly on the representation position within the model manifold. However, for most machine learning models (in particular neural networks) this representation is not fixed due to the training pool fluctuations in between active learning rounds. Therefore, several popular strategies are sensitive to experiment parameters (e.g. architecture) and do not consider model robustness to out-of-distribution settings. To alleviate this issue, we propose a grounded second-order definition of information content and sample importance within the context of active learning. Specifically, we define importance by how often a neural network "forgets" a sample during training - artifacts of second order representation shifts. We show that our definition produces highly accurate importance scores even when the model representations are constrained by the lack of training data. Motivated by our analysis, we develop Gaussian Switch Sampling (GauSS). We show that GauSS is setup agnostic and robust to anomalous distributions with exhaustive experiments on three in-distribution benchmarks, three out-of-distribution benchmarks, and three different architectures. We report an improvement of up to 5% when compared against four popular query strategies.

Online optimization is a well-established optimization paradigm that aims to make a sequence of correct decisions given knowledge of the correct answer to previous decision tasks. Bilevel programming involves a hierarchical optimization problem where the feasible region of the so-called outer problem is restricted by the graph of the solution set mapping of the inner problem. This paper brings these two ideas together and studies an online bilevel optimization setting in which a sequence of time-varying bilevel problems are revealed one after the other. We extend the known regret bounds for single-level online algorithms to the bilevel setting. Specifically, we introduce new notions of bilevel regret, develop an online alternating time-averaged gradient method that is capable of leveraging smoothness, and provide regret bounds in terms of the path-length of the inner and outer minimizer sequences.

Artificial intelligence has made great progress in medical data analysis, but the lack of robustness and trustworthiness has kept these methods from being widely deployed. As it is not possible to train networks that are accurate in all situations, models must recognize situations where they cannot operate confidently. Bayesian deep learning methods sample the model parameter space to estimate uncertainty, but these parameters are often subject to the same vulnerabilities, which can be exploited by adversarial attacks. We propose a novel ensemble approach based on feature decorrelation and Fourier partitioning for teaching networks diverse complementary features, reducing the chance of perturbation-based fooling. We test our approach on electrocardiogram classification, demonstrating superior accuracy confidence measurement, on a variety of adversarial attacks. For example, on our ensemble trained with both decorrelation and Fourier partitioning scored a 50.18% inference accuracy and 48.01% uncertainty accuracy (area under the curve) on {\epsilon} = 50 projected gradient descent attacks, while a conventionally trained ensemble scored 21.1% and 30.31% on these metrics respectively. Our approach does not require expensive optimization with adversarial samples and can be scaled to large problems. These methods can easily be applied to other tasks for more robust and trustworthy models.

Agent-based computational economics is a field with a rich academic history, yet one which has struggled to enter mainstream policy design toolboxes, plagued by the challenges associated with representing a complex and dynamic reality. The field of Reinforcement Learning (RL), too, has a rich history, and has recently been at the centre of several exponential developments. Modern RL implementations have been able to achieve unprecedented levels of sophistication, handling previously unthinkable degrees of complexity. This review surveys the historical barriers of classical agent-based techniques in economic modelling, and contemplates whether recent developments in RL can overcome any of them.

Representations of multivariate functions with low-dimensional functions that depend on subsets of original coordinates (corresponding of different orders of coupling) are useful in quantum dynamics and other applications, especially where integration is needed. Such representations can be conveniently built with machine learning methods, and previously, methods building the lower-dimensional terms of such representations with neural networks [e.g. Comput. Phys. Comm. 180 (2009) 2002] and Gaussian process regressions [e.g. Mach. Learn. Sci. Technol. 3 (2022) 01LT02] were proposed. Here, we show that neural network models of orders-of-coupling representations can be easily built by using a recently proposed neural network with optimal neuron activation functions computed with a first-order additive Gaussian process regression [arXiv:2301.05567] and avoiding non-linear parameter optimization. Examples are given of representations of molecular potential energy surfaces.

In explainable machine learning, local post-hoc explanation algorithms and inherently interpretable models are often seen as competing approaches. This work offers a partial reconciliation between the two by establishing a correspondence between Shapley Values and Generalized Additive Models (GAMs). We introduce $n$-Shapley Values, a parametric family of local post-hoc explanation algorithms that explain individual predictions with interaction terms up to order $n$. By varying the parameter $n$, we obtain a sequence of explanations that covers the entire range from Shapley Values up to a uniquely determined decomposition of the function we want to explain. The relationship between $n$-Shapley Values and this decomposition offers a functionally-grounded characterization of Shapley Values, which highlights their limitations. We then show that $n$-Shapley Values, as well as the Shapley Taylor- and Faith-Shap interaction indices, recover GAMs with interaction terms up to order $n$. This implies that the original Shapely Values recover GAMs without variable interactions. Taken together, our results provide a precise characterization of Shapley Values as they are being used in explainable machine learning. They also offer a principled interpretation of partial dependence plots of Shapley Values in terms of the underlying functional decomposition. A package for the estimation of different interaction indices is available at \url{https://github.com/tml-tuebingen/nshap}.

Building advanced machine learning (ML) models requires expert knowledge and many trials to discover the best architecture and hyperparameter settings. Previous work demonstrates that model information can be leveraged to assist other attacks, such as membership inference, generating adversarial examples. Therefore, such information, e.g., hyperparameters, should be kept confidential. It is well known that an adversary can leverage a target ML model's output to steal the model's information. In this paper, we discover a new side channel for model information stealing attacks, i.e., models' scientific plots which are extensively used to demonstrate model performance and are easily accessible. Our attack is simple and straightforward. We leverage the shadow model training techniques to generate training data for the attack model which is essentially an image classifier. Extensive evaluation on three benchmark datasets shows that our proposed attack can effectively infer the architecture/hyperparameters of image classifiers based on convolutional neural network (CNN) given the scientific plot generated from it. We also reveal that the attack's success is mainly caused by the shape of the scientific plots, and further demonstrate that the attacks are robust in various scenarios. Given the simplicity and effectiveness of the attack method, our study indicates scientific plots indeed constitute a valid side channel for model information stealing attacks. To mitigate the attacks, we propose several defense mechanisms that can reduce the original attacks' accuracy while maintaining the plot utility. However, such defenses can still be bypassed by adaptive attacks.

Abstraction is a desirable capability for deep learning models, which means to induce abstract concepts from concrete instances and flexibly apply them beyond the learning context. At the same time, there is a lack of clear understanding about both the presence and further characteristics of this capability in deep learning models. In this paper, we introduce a systematic probing framework to explore the abstraction capability of deep learning models from a transferability perspective. A set of controlled experiments are conducted based on this framework, providing strong evidence that two probed pre-trained language models (PLMs), T5 and GPT2, have the abstraction capability. We also conduct in-depth analysis, thus shedding further light: (1) the whole training phase exhibits a "memorize-then-abstract" two-stage process; (2) the learned abstract concepts are gathered in a few middle-layer attention heads, rather than being evenly distributed throughout the model; (3) the probed abstraction capabilities exhibit robustness against concept mutations, and are more robust to low-level/source-side mutations than high-level/target-side ones; (4) generic pre-training is critical to the emergence of abstraction capability, and PLMs exhibit better abstraction with larger model sizes and data scales.

Today, deep learning is increasingly applied in security-critical situations such as autonomous driving and medical diagnosis. Despite its success, the behavior and robustness of deep networks are not fully understood yet, posing a significant risk. In particular, researchers recently found that neural networks are overly confident in their predictions, even on data they have never seen before. To tackle this issue, one can differentiate two approaches in the literature. One accounts for uncertainty in the predictions, while the second estimates the underlying density of the training data to decide whether a given input is close to the training data, and thus the network is able to perform as expected.In this thesis, we investigate the capabilities of EBMs at the task of fitting the training data distribution to perform detection of out-of-distribution (OOD) inputs. We find that on most datasets, EBMs do not inherently outperform other density estimators at detecting OOD data despite their flexibility. Thus, we additionally investigate the effects of supervision, dimensionality reduction, and architectural modifications on the performance of EBMs. Further, we propose Energy-Prior Network (EPN) which enables estimation of various uncertainties within an EBM for classification, bridging the gap between two approaches for tackling the OOD detection problem. We identify a connection between the concentration parameters of the Dirichlet distribution and the joint energy in an EBM. Additionally, this allows optimization without a held-out OOD dataset, which might not be available or costly to collect in some applications. Finally, we empirically demonstrate that Energy-Prior Network (EPN) is able to detect OOD inputs, datasets shifts, and adversarial examples. Theoretically, EPN offers favorable properties for the asymptotic case when inputs are far from the training data.

As cellular networks evolve towards the 6th Generation (6G), Machine Learning (ML) is seen as a key enabling technology to improve the capabilities of the network. ML provides a methodology for predictive systems, which, in turn, can make networks become proactive. This proactive behavior of the network can be leveraged to sustain, for example, a specific Quality of Service (QoS) requirement. With predictive Quality of Service (pQoS), a wide variety of new use cases, both safety- and entertainment-related, are emerging, especially in the automotive sector. Therefore, in this work, we consider maximum throughput prediction enhancing, for example, streaming or HD mapping applications. We discuss the entire ML workflow highlighting less regarded aspects such as the detailed sampling procedures, the in-depth analysis of the dataset characteristics, the effects of splits in the provided results, and the data availability. Reliable ML models need to face a lot of challenges during their lifecycle. We highlight how confidence can be built on ML technologies by better understanding the underlying characteristics of the collected data. We discuss feature engineering and the effects of different splits for the training processes, showcasing that random splits might overestimate performance by more than twofold. Moreover, we investigate diverse sets of input features, where network information proved to be most effective, cutting the error by half. Part of our contribution is the validation of multiple ML models within diverse scenarios. We also use Explainable AI (XAI) to show that ML can learn underlying principles of wireless networks without being explicitly programmed. Our data is collected from a deployed network that was under full control of the measurement team and covered different vehicular scenarios and radio environments.

Graph Neural Networks (GNNs) are increasingly becoming the favorite method for graph learning. They exploit the semi-supervised nature of deep learning, and they bypass computational bottlenecks associated with traditional graph learning methods. In addition to the feature matrix $X$, GNNs need an adjacency matrix $A$ to perform feature propagation. In many cases the adjacency matrix $A$ is missing. We introduce a graph construction scheme that construct the adjacency matrix $A$ using unsupervised and supervised information. Unsupervised information characterize the neighborhood around points. We used Principal Axis trees (PA-trees) as a source of unsupervised information, where we create edges between points falling onto the same leaf node. For supervised information, we used the concept of penalty and intrinsic graphs. A penalty graph connects points with different class labels, whereas intrinsic graph connects points with the same class label. We used the penalty and intrinsic graphs to remove or add edges to the graph constructed via PA-tree. This graph construction scheme was tested on two well-known GNNs: 1) Graph Convolutional Network (GCN) and 2) Simple Graph Convolution (SGC). The experiments show that it is better to use SGC because it is faster and delivers better or the same results as GCN. We also test the effect of oversmoothing on both GCN and SGC. We found out that the level of smoothing has to be selected carefully for SGC to avoid oversmoothing.

Graph convolutional networks (GCNs) were a great step towards extending deep learning to unstructured data such as graphs. But GCNs still need a constructed graph to work with. To solve this problem, classical graphs such as $k$-nearest neighbor are usually used to initialize the GCN. Although it is computationally efficient to construct $k$-nn graphs, the constructed graph might not be very useful for learning. In a $k$-nn graph, points are restricted to have a fixed number of edges, and all edges in the graph have equal weights. We present a new way to construct the graph and initialize the GCN. It is based on random projection forest (rpForest). rpForest enables us to assign varying weights on edges indicating varying importance, which enhanced the learning. The number of trees is a hyperparameter in rpForest. We performed spectral analysis to help us setting this parameter in the right range. In the experiments, initializing the GCN using rpForest provides better results compared to $k$-nn initialization.

We propose an ML-based model that automates and expedites the solution of MIPs by predicting the values of variables. Our approach is motivated by the observation that many problem instances share salient features and solution structures since they differ only in few (time-varying) parameters. Examples include transportation and routing problems where decisions need to be re-optimized whenever commodity volumes or link costs change. Our method is the first to exploit the sequential nature of the instances being solved periodically, and can be trained with ``unlabeled'' instances, when exact solutions are unavailable, in a semi-supervised setting. Also, we provide a principled way of transforming the probabilistic predictions into integral solutions. Using a battery of experiments with representative binary MIPs, we show the gains of our model over other ML-based optimization approaches.

Although fast adversarial training provides an efficient approach for building robust networks, it may suffer from a serious problem known as catastrophic overfitting (CO), where the multi-step robust accuracy suddenly collapses to zero. In this paper, we for the first time decouple the FGSM examples into data-information and self-information, which reveals an interesting phenomenon called "self-fitting". Self-fitting, i.e., DNNs learn the self-information embedded in single-step perturbations, naturally leads to the occurrence of CO. When self-fitting occurs, the network experiences an obvious "channel differentiation" phenomenon that some convolution channels accounting for recognizing self-information become dominant, while others for data-information are suppressed. In this way, the network learns to only recognize images with sufficient self-information and loses generalization ability to other types of data. Based on self-fitting, we provide new insight into the existing methods to mitigate CO and extend CO to multi-step adversarial training. Our findings reveal a self-learning mechanism in adversarial training and open up new perspectives for suppressing different kinds of information to mitigate CO.

Correlated time series (CTS) forecasting plays an essential role in many practical applications, such as traffic management and server load control. Many deep learning models have been proposed to improve the accuracy of CTS forecasting. However, while models have become increasingly complex and computationally intensive, they struggle to improve accuracy. Pursuing a different direction, this study aims instead to enable much more efficient, lightweight models that preserve accuracy while being able to be deployed on resource-constrained devices. To achieve this goal, we characterize popular CTS forecasting models and yield two observations that indicate directions for lightweight CTS forecasting. On this basis, we propose the LightCTS framework that adopts plain stacking of temporal and spatial operators instead of alternate stacking that is much more computationally expensive. Moreover, LightCTS features light temporal and spatial operator modules, called L-TCN and GL-Former, that offer improved computational efficiency without compromising their feature extraction capabilities. LightCTS also encompasses a last-shot compression scheme to reduce redundant temporal features and speed up subsequent computations. Experiments with single-step and multi-step forecasting benchmark datasets show that LightCTS is capable of nearly state-of-the-art accuracy at much reduced computational and storage overheads.

Physical simulations that accurately model reality are crucial for many engineering disciplines such as mechanical engineering and robotic motion planning. In recent years, learned Graph Network Simulators produced accurate mesh-based simulations while requiring only a fraction of the computational cost of traditional simulators. Yet, the resulting predictors are confined to learning from data generated by existing mesh-based simulators and thus cannot include real world sensory information such as point cloud data. As these predictors have to simulate complex physical systems from only an initial state, they exhibit a high error accumulation for long-term predictions. In this work, we integrate sensory information to ground Graph Network Simulators on real world observations. In particular, we predict the mesh state of deformable objects by utilizing point cloud data. The resulting model allows for accurate predictions over longer time horizons, even under uncertainties in the simulation, such as unknown material properties. Since point clouds are usually not available for every time step, especially in online settings, we employ an imputation-based model. The model can make use of such additional information only when provided, and resorts to a standard Graph Network Simulator, otherwise. We experimentally validate our approach on a suite of prediction tasks for mesh-based interactions between soft and rigid bodies. Our method results in utilization of additional point cloud information to accurately predict stable simulations where existing Graph Network Simulators fail.

Latent variable models are widely used to perform unsupervised segmentation of time series in different context such as robotics, speech recognition, and economics. One of the most widely used latent variable model is the Auto-Regressive Hidden Markov Model (ARHMM), which combines a latent mode governed by a Markov chain dynamics with a linear Auto-Regressive dynamics of the observed state. In this work, we propose two generalizations of the ARHMM. First, we propose a more general AR dynamics in Cartesian space, described as a linear combination of non-linear basis functions. Second, we propose a linear dynamics in unit quaternion space, in order to properly describe orientations. These extensions allow to describe more complex dynamics of the observed state. Although this extension is proposed for the ARHMM, it can be easily extended to other latent variable models with AR dynamics in the observed space, such as Auto-Regressive Hidden semi-Markov Models.

Calibrating agent-based models (ABMs) in economics and finance typically involves a derivative-free search in a very large parameter space. In this work, we benchmark a number of search methods in the calibration of a well-known macroeconomic ABM on real data, and further assess the performance of "mixed strategies" made by combining different methods. We find that methods based on random-forest surrogates are particularly efficient, and that combining search methods generally increases performance since the biases of any single method are mitigated. Moving from these observations, we propose a reinforcement learning (RL) scheme to automatically select and combine search methods on-the-fly during a calibration run. The RL agent keeps exploiting a specific method only as long as this keeps performing well, but explores new strategies when the specific method reaches a performance plateau. The resulting RL search scheme outperforms any other method or method combination tested, and does not rely on any prior information or trial and error procedure.

The Targeted Free Energy Perturbation (TFEP) method aims to overcome the time-consuming and computer-intensive stratification process of standard methods for estimating the free energy difference between two states. To achieve this, TFEP uses a mapping function between the high-dimensional probability densities of these states. The bijectivity and invertibility of normalizing flow neural networks fulfill the requirements for serving as such a mapping function. Despite its theoretical potential for free energy calculations, TFEP has not yet been adopted in practice due to challenges in entropy correction, limitations in energy-based training, and mode collapse when learning density functions of larger systems with a high number of degrees of freedom. In this study, we expand flow-based TFEP to systems with variable number of atoms in the two states of consideration by exploring the theoretical basis of entropic contributions of dummy atoms, and validate our reasoning with analytical derivations for a model system containing coupled particles. We also extend the TFEP framework to handle systems of hybrid topology, propose auxiliary additions to improve the TFEP architecture, and demonstrate accurate predictions of relative free energy differences for large molecular systems. Our results provide the first practical application of the fast and accurate deep learning-based TFEP method for biomolecules and introduce it as a viable free energy estimation method within the context of drug design.

The health and safety hazards posed by worn crane lifting ropes mandate periodic inspection for damage. This task is time-consuming, prone to human error, halts operation, and may result in the premature disposal of ropes. Therefore, we propose using deep learning and computer vision methods to automate the process of detecting damaged ropes. Specifically, we present a novel vision-based system for detecting damage in synthetic fiber rope images using convolutional neural networks (CNN). We use a camera-based apparatus to photograph the lifting rope's surface, while in operation, and capture the progressive wear-and-tear as well as the more significant degradation in the rope's health state. Experts from Konecranes annotate the collected images in accordance with the rope's condition; normal or damaged. Then, we pre-process the images, design a CNN model in a systematic manner, evaluate its detection and prediction performance, analyze its computational complexity, and compare it with various other models. Experimental results show the proposed model outperforms other techniques with 96.4% accuracy, 95.8% precision, 97.2% recall, 96.5% F1-score, and 99.2% AUC. Besides, they demonstrate the model's real-time operation, low memory footprint, robustness to various environmental and operational conditions, and adequacy for deployment in industrial systems.

When deployed for risk-sensitive tasks, deep neural networks must be able to detect instances with labels from outside the distribution for which they were trained. In this paper we present a novel framework to benchmark the ability of image classifiers to detect class-out-of-distribution instances (i.e., instances whose true labels do not appear in the training distribution) at various levels of detection difficulty. We apply this technique to ImageNet, and benchmark 525 pretrained, publicly available, ImageNet-1k classifiers. The code for generating a benchmark for any ImageNet-1k classifier, along with the benchmarks prepared for the above-mentioned 525 models is available at https://github.com/mdabbah/COOD_benchmarking. The usefulness of the proposed framework and its advantage over alternative existing benchmarks is demonstrated by analyzing the results obtained for these models, which reveals numerous novel observations including: (1) knowledge distillation consistently improves class-out-of-distribution (C-OOD) detection performance; (2) a subset of ViTs performs better C-OOD detection than any other model; (3) the language--vision CLIP model achieves good zero-shot detection performance, with its best instance outperforming 96% of all other models evaluated; (4) accuracy and in-distribution ranking are positively correlated to C-OOD detection; and (5) we compare various confidence functions for C-OOD detection. Our companion paper, also published in ICLR 2023 (What Can We Learn From The Selective Prediction And Uncertainty Estimation Performance Of 523 Imagenet Classifiers), examines the uncertainty estimation performance (ranking, calibration, and selective prediction performance) of these classifiers in an in-distribution setting.

We study the scaling limits of stochastic gradient descent (SGD) with constant step-size in the high-dimensional regime. We prove limit theorems for the trajectories of summary statistics (i.e., finite-dimensional functions) of SGD as the dimension goes to infinity. Our approach allows one to choose the summary statistics that are tracked, the initialization, and the step-size. It yields both ballistic (ODE) and diffusive (SDE) limits, with the limit depending dramatically on the former choices. We show a critical scaling regime for the step-size, below which the effective ballistic dynamics matches gradient flow for the population loss, but at which, a new correction term appears which changes the phase diagram. About the fixed points of this effective dynamics, the corresponding diffusive limits can be quite complex and even degenerate. We demonstrate our approach on popular examples including estimation for spiked matrix and tensor models and classification via two-layer networks for binary and XOR-type Gaussian mixture models. These examples exhibit surprising phenomena including multimodal timescales to convergence as well as convergence to sub-optimal solutions with probability bounded away from zero from random (e.g., Gaussian) initializations. At the same time, we demonstrate the benefit of overparametrization by showing that the latter probability goes to zero as the second layer width grows.

When deployed for risk-sensitive tasks, deep neural networks must include an uncertainty estimation mechanism. Here we examine the relationship between deep architectures and their respective training regimes, with their corresponding selective prediction and uncertainty estimation performance. We consider some of the most popular estimation performance metrics previously proposed including AUROC, ECE, AURC as well as coverage for selective accuracy constraint. We present a novel and comprehensive study of selective prediction and the uncertainty estimation performance of 523 existing pretrained deep ImageNet classifiers that are available in popular repositories. We identify numerous and previously unknown factors that affect uncertainty estimation and examine the relationships between the different metrics. We find that distillation-based training regimes consistently yield better uncertainty estimations than other training schemes such as vanilla training, pretraining on a larger dataset and adversarial training. Moreover, we find a subset of ViT models that outperform any other models in terms of uncertainty estimation performance. For example, we discovered an unprecedented 99% top-1 selective accuracy on ImageNet at 47% coverage (and 95% top-1 accuracy at 80%) for a ViT model, whereas a competing EfficientNet-V2-XL cannot obtain these accuracy constraints at any level of coverage. Our companion paper, also published in ICLR 2023 (A framework for benchmarking class-out-of-distribution detection and its application to ImageNet), examines the performance of these classifiers in a class-out-of-distribution setting.

Recovering a globally accurate complex physics field from limited sensor is critical to the measurement and control in the aerospace engineering. General reconstruction methods for recovering the field, especially the deep learning with more parameters and better representational ability, usually require large amounts of labeled data which is unaffordable. To solve the problem, this paper proposes Uncertainty Guided Ensemble Self-Training (UGE-ST), using plentiful unlabeled data to improve reconstruction performance. A novel self-training framework with the ensemble teacher and pretraining student designed to improve the accuracy of the pseudo-label and remedy the impact of noise is first proposed. On the other hand, uncertainty-guided learning is proposed to encourage the model to focus on the highly confident regions of pseudo-labels and mitigate the effects of wrong pseudo-labeling in self-training, improving the performance of the reconstruction model. Experiments include the pressure velocity field reconstruction of airfoil and the temperature field reconstruction of aircraft system indicate that our UGE-ST can save up to 90% of the data with the same accuracy as supervised learning.

Digging out the latent information from large-scale incomplete matrices is a key issue with challenges. The Latent Factor Analysis (LFA) model has been investigated in depth to an alyze the latent information. Recently, Swarm Intelligence-related LFA models have been proposed and adopted widely to improve the optimization process of LFA with high efficiency, i.e., the Particle Swarm Optimization (PSO)-LFA model. However, the hyper-parameters of the PSO-LFA model have to tune manually, which is inconvenient for widely adoption and limits the learning rate as a fixed value. To address this issue, we propose an Adam-enhanced Hierarchical PSO-LFA model, which refines the latent factors with a sequential Adam-adjusting hyper-parameters PSO algorithm. First, we design the Adam incremental vector for a particle and construct the Adam-enhanced evolution process for particles. Second, we refine all the latent factors of the target matrix sequentially with our proposed Adam-enhanced PSO's process. The experimental results on four real datasets demonstrate that our proposed model achieves higher prediction accuracy with its peers.

We study the widely known Cubic-Newton method in the stochastic setting and propose a general framework to use variance reduction which we call the helper framework. In all previous work, these methods were proposed with very large batches (both in gradients and Hessians) and with various and often strong assumptions. In this work, we investigate the possibility of using such methods without large batches and use very simple assumptions that are sufficient for all our methods to work. In addition, we study these methods applied to gradient-dominated functions. In the general case, we show improved convergence (compared to first-order methods) to an approximate local minimum, and for gradient-dominated functions, we show convergence to approximate global minima.

We develop ShiftMatch, a new training-data-dependent likelihood for robustness to corruption in Bayesian neural networks (BNNs). ShiftMatch is inspired by the training-data-dependent "EmpCov" priors from Izmailov et al. (2021a), and efficiently matches test-time spatial correlations to those at training time. Critically, ShiftMatch is designed to leave the neural network's training time likelihood unchanged, allowing it to use publicly available samples from pre-trained BNNs. Using pre-trained HMC samples, ShiftMatch gives strong performance improvements on CIFAR-10-C, outperforms EmpCov priors (though ShiftMatch uses extra information from a minibatch of corrupted test points), and is perhaps the first Bayesian method capable of convincingly outperforming plain deep ensembles.

High-Dimensional and Incomplete matrices, which usually contain a large amount of valuable latent information, can be well represented by a Latent Factor Analysis model. The performance of an LFA model heavily rely on its optimization process. Thereby, some prior studies employ the Particle Swarm Optimization to enhance an LFA model's optimization process. However, the particles within the swarm follow the static evolution paths and only share the global best information, which limits the particles' searching area to cause sub-optimum issue. To address this issue, this paper proposes a Dynamic-neighbor-cooperated Hierarchical PSO-enhanced LFA model with two-fold main ideas. First is the neighbor-cooperated strategy, which enhances the randomly chosen neighbor's velocity for particles' evolution. Second is the dynamic hyper-parameter tunning. Extensive experiments on two benchmark datasets are conducted to evaluate the proposed DHPL model. The results substantiate that DHPL achieves a higher accuracy without hyper-parameters tunning than the existing PSO-incorporated LFA models in representing an HDI matrix.

Attention Networks (ATNs) such as Transformers are used in many domains ranging from Natural Language Processing to Autonomous Driving. In this paper, we study the robustness problem of ATNs, a key characteristic where low robustness may cause safety concerns. Specifically, we focus on Sparsemax-based ATNs and reduce the finding of their maximum robustness to a Mixed Integer Quadratically Constrained Programming (MIQCP) problem. We also design two pre-processing heuristics that can be embedded in the MIQCP encoding and substantially accelerate its solving. We then conduct experiments using the application of Land Departure Warning to compare the robustness of Sparsemax-based ATNs against that of the more conventional Multi-Layer-Perceptron (MLP) Neural Networks (NNs). To our surprise, ATNs are not necessarily more robust, leading to profound considerations in selecting appropriate NN architectures for safety-critical domain applications.

Most existing federated learning methods assume that clients have fully labeled data to train on, while in reality, it is hard for the clients to get task-specific labels due to users' privacy concerns, high labeling costs, or lack of expertise. This work considers the server with a small labeled dataset and intends to use unlabeled data in multiple clients for semi-supervised learning. We propose a new framework with a generalized model, Federated Incremental Learning (FedIL), to address the problem of how to utilize labeled data in the server and unlabeled data in clients separately in the scenario of Federated Learning (FL). FedIL uses the Iterative Similarity Fusion to enforce the server-client consistency on the predictions of unlabeled data and uses incremental confidence to establish a credible pseudo-label set in each client. We show that FedIL will accelerate model convergence by Cosine Similarity with normalization, proved by Banach Fixed Point Theorem. The code is available at https://anonymous.4open.science/r/fedil.

We present counterfactual situation testing (CST), a causal data mining framework for detecting discrimination in classifiers. CST aims to answer in an actionable and meaningful way the intuitive question "what would have been the model outcome had the individual, or complainant, been of a different protected status?" It extends the legally-grounded situation testing of Thanh et al. (2011) by operationalizing the notion of fairness given the difference using counterfactual reasoning. For any complainant, we find and compare similar protected and non-protected instances in the dataset used by the classifier to construct a control and test group, where a difference between the decision outcomes of the two groups implies potential individual discrimination. Unlike situation testing, which builds both groups around the complainant, we build the test group on the complainant's counterfactual generated using causal knowledge. The counterfactual is intended to reflect how the protected attribute when changed affects the seemingly neutral attributes used by the classifier, which is taken for granted in many frameworks for discrimination. Under CST, we compare similar individuals within each group but dissimilar individuals across both groups due to the possible difference between the complainant and its counterfactual. Evaluating our framework on two classification scenarios, we show that it uncovers a greater number of cases than situation testing, even when the classifier satisfies the counterfactual fairness condition of Kusner et al. (2017).

\textit{Objective:} In this paper, we introduce Physics-Informed Fourier Networks (PIFONs) for Electrical Properties (EP) Tomography (EPT). Our novel deep learning-based method is capable of learning EPs globally by solving an inverse scattering problem based on noisy and/or incomplete magnetic resonance (MR) measurements. \textit{Methods:} We use two separate fully-connected neural networks, namely $B_1^{+}$ Net and EP Net, to learn the $B_1^{+}$ field and EPs at any location. A random Fourier features mapping is embedded into $B_1^{+}$ Net, which allows it to learn the $B_1^{+}$ field more efficiently. These two neural networks are trained jointly by minimizing the combination of a physics-informed loss and a data mismatch loss via gradient descent. \textit{Results:} We showed that PIFON-EPT could provide physically consistent reconstructions of EPs and transmit field in the whole domain of interest even when half of the noisy MR measurements of the entire volume was missing. The average error was $2.49\%$, $4.09\%$ and $0.32\%$ for the relative permittivity, conductivity and $B_{1}^{+}$, respectively, over the entire volume of the phantom. In experiments that admitted a zero assumption of $B_z$, PIFON-EPT could yield accurate EP predictions near the interface between regions of different EP values without requiring any boundary conditions. \textit{Conclusion:} This work demonstrated the feasibility of PIFON-EPT, suggesting it could be an accurate and effective method for electrical properties estimation. \textit{Significance:} PIFON-EPT can efficiently de-noise MR measurements, which shows the potential to improve other MR-based EPT techniques. Furthermore, it is the first time that MR-based EPT methods can reconstruct the EPs and $B_{1}^{+}$ field simultaneously from incomplete simulated noisy MR measurements.

The diversity and domain dependence of time series data pose significant challenges in transferring learning to time series forecasting. In this study, we examine the effectiveness of using a transformer model that has been pre-trained on natural language or image data and then fine-tuned for time series forecasting with minimal modifications, specifically, without altering the self-attention and feedforward layers of the residual blocks. This model, known as the Frozen Pretrained Transformer (FPT), is evaluated through fine-tuning on time series forecasting tasks under Zero-Shot, Few-Shot, and normal sample size conditions. Our results demonstrate that pre-training on natural language or images can lead to a comparable or state-of-the-art performance in cross-modality time series forecasting tasks, in contrast to previous studies that focused on fine-tuning within the same modality as the pre-training data. Additionally, we provide a comprehensive theoretical analysis of the universality and the functionality of the FPT. The code is publicly available at https://anonymous.4open.science/r/Pretrained-LM-for-TSForcasting-C561.

Knowledge-aware question answering (KAQA) requires the model to answer questions over a knowledge base, which is essential for both open-domain QA and domain-specific QA, especially when language models alone cannot provide all the knowledge needed. Despite the promising result of recent KAQA systems which tend to integrate linguistic knowledge from pre-trained language models (PLM) and factual knowledge from knowledge graphs (KG) to answer complex questions, a bottleneck exists in effectively fusing the representations from PLMs and KGs because of (i) the semantic and distributional gaps between them, and (ii) the difficulties in joint reasoning over the provided knowledge from both modalities. To address the above two problems, we propose a Fine-grained Two-stage training framework (FiTs) to boost the KAQA system performance: The first stage aims at aligning representations from the PLM and the KG, thus bridging the modality gaps between them, named knowledge adaptive post-training. The second stage, called knowledge-aware fine-tuning, aims to improve the model's joint reasoning ability based on the aligned representations. In detail, we fine-tune the post-trained model via two auxiliary self-supervised tasks in addition to the QA supervision. Extensive experiments demonstrate that our approach achieves state-of-the-art performance on three benchmarks in the commonsense reasoning (i.e., CommonsenseQA, OpenbookQA) and medical question answering (i.e., MedQA-USMILE) domains.

Adversarial attack transferability is well-recognized in deep learning. Prior work has partially explained transferability by recognizing common adversarial subspaces and correlations between decision boundaries, but little is known beyond this. We propose that transferability between seemingly different models is due to a high linear correlation between the feature sets that different networks extract. In other words, two models trained on the same task that are distant in the parameter space likely extract features in the same fashion, just with trivial affine transformations between the latent spaces. Furthermore, we show how applying a feature correlation loss, which decorrelates the extracted features in a latent space, can reduce the transferability of adversarial attacks between models, suggesting that the models complete tasks in semantically different ways. Finally, we propose a Dual Neck Autoencoder (DNA), which leverages this feature correlation loss to create two meaningfully different encodings of input information with reduced transferability.

It is shown in recent studies that in a Stackelberg game the follower can manipulate the leader by deviating from their true best-response behavior. Such manipulations are computationally tractable and can be highly beneficial for the follower. Meanwhile, they may result in significant payoff losses for the leader, sometimes completely defeating their first-mover advantage. A warning to commitment optimizers, the risk these findings indicate appears to be alleviated to some extent by a strict information advantage the manipulations rely on. That is, the follower knows the full information about both players' payoffs whereas the leader only knows their own payoffs. In this paper, we study the manipulation problem with this information advantage relaxed. We consider the scenario where the follower is not given any information about the leader's payoffs to begin with but has to learn to manipulate by interacting with the leader. The follower can gather necessary information by querying the leader's optimal commitments against contrived best-response behaviors. Our results indicate that the information advantage is not entirely indispensable to the follower's manipulations: the follower can learn the optimal way to manipulate in polynomial time with polynomially many queries of the leader's optimal commitment.

Mixable loss functions are of fundamental importance in the context of prediction with expert advice in the online setting since they characterize fast learning rates. By re-interpreting properness from the point of view of differential geometry, we provide a simple geometric characterization of mixability for the binary and multi-class cases: a proper loss function $\ell$ is $\eta$-mixable if and only if the superpredition set $\textrm{spr}(\eta \ell)$ of the scaled loss function $\eta \ell$ slides freely inside the superprediction set $\textrm{spr}(\ell_{\log})$ of the log loss $\ell_{\log}$, under fairly general assumptions on the differentiability of $\ell$. Our approach provides a way to treat some concepts concerning loss functions (like properness) in a ''coordinate-free'' manner and reconciles previous results obtained for mixable loss functions for the binary and the multi-class cases.

The world is not static: This causes real-world time series to change over time through external, and potentially disruptive, events such as macroeconomic cycles or the COVID-19 pandemic. We present an adaptive sampling strategy that selects the part of the time series history that is relevant for forecasting. We achieve this by learning a discrete distribution over relevant time steps by Bayesian optimization. We instantiate this idea with a two-step method that is pre-trained with uniform sampling and then training a lightweight adaptive architecture with adaptive sampling. We show with synthetic and real-world experiments that this method adapts to distribution shift and significantly reduces the forecasting error of the base model for three out of five datasets.

Tabular data comprising rows (samples) with the same set of columns (attributes, is one of the most widely used data-type among various industries, including financial services, health care, research, retail, and logistics, to name a few. Tables are becoming the natural way of storing data among various industries and academia. The data stored in these tables serve as an essential source of information for making various decisions. As computational power and internet connectivity increase, the data stored by these companies grow exponentially, and not only do the databases become vast and challenging to maintain and operate, but the quantity of database tasks also increases. Thus a new line of research work has been started, which applies various learning techniques to support various database tasks for such large and complex tables. In this work, we split the quest of learning on tabular data into two phases: The Classical Learning Phase and The Modern Machine Learning Phase. The classical learning phase consists of the models such as SVMs, linear and logistic regression, and tree-based methods. These models are best suited for small-size tables. However, the number of tasks these models can address is limited to classification and regression. In contrast, the Modern Machine Learning Phase contains models that use deep learning for learning latent space representation of table entities. The objective of this survey is to scrutinize the varied approaches used by practitioners to learn representation for the structured data, and to compare their efficacy.

In this work, we consider the off-policy policy evaluation problem for contextual bandits and finite horizon reinforcement learning in the nonstationary setting. Reusing old data is critical for policy evaluation, but existing estimators that reuse old data introduce large bias such that we can not obtain a valid confidence interval. Inspired from a related field called survey sampling, we introduce a variant of the doubly robust (DR) estimator, called the regression-assisted DR estimator, that can incorporate the past data without introducing a large bias. The estimator unifies several existing off-policy policy evaluation methods and improves on them with the use of auxiliary information and a regression approach. We prove that the new estimator is asymptotically unbiased, and provide a consistent variance estimator to a construct a large sample confidence interval. Finally, we empirically show that the new estimator improves estimation for the current and future policy values, and provides a tight and valid interval estimation in several nonstationary recommendation environments.

The emerging availability of trained machine learning models has put forward the novel concept of Machine Learning Model Market in which one can harness the collective intelligence of multiple well-trained models to improve the performance of the resultant model through one-shot federated learning and ensemble learning in a data-free manner. However, picking the models available in the market for ensemble learning is time-consuming, as using all the models is not always the best approach. It is thus crucial to have an effective ensemble selection strategy that can find a good subset of the base models for the ensemble. Conventional ensemble selection techniques are not applicable, as we do not have access to the local datasets of the parties in the federated learning setting. In this paper, we present a novel Data-Free Diversity-Based method called DeDES to address the ensemble selection problem for models generated by one-shot federated learning in practical applications such as model markets. Experiments showed that our method can achieve both better performance and higher efficiency over 5 datasets and 4 different model structures under the different data-partition strategies.

Over the past decade, domain adaptation has become a widely studied branch of transfer learning that aims to improve performance on target domains by leveraging knowledge from the source domain. Conventional domain adaptation methods often assume access to both source and target domain data simultaneously, which may not be feasible in real-world scenarios due to privacy and confidentiality concerns. As a result, the research of Source-Free Domain Adaptation (SFDA) has drawn growing attention in recent years, which only utilizes the source-trained model and unlabeled target data to adapt to the target domain. Despite the rapid explosion of SFDA work, yet there has no timely and comprehensive survey in the field. To fill this gap, we provide a comprehensive survey of recent advances in SFDA and organize them into a unified categorization scheme based on the framework of transfer learning. Instead of presenting each approach independently, we modularize several components of each method to more clearly illustrate their relationships and mechanics in light of the composite properties of each method. Furthermore, we compare the results of more than 30 representative SFDA methods on three popular classification benchmarks, namely Office-31, Office-home, and VisDA, to explore the effectiveness of various technical routes and the combination effects among them. Additionally, we briefly introduce the applications of SFDA and related fields. Drawing from our analysis of the challenges facing SFDA, we offer some insights into future research directions and potential settings.

Deep learning based image enhancement models have largely improved the readability of fundus images in order to decrease the uncertainty of clinical observations and the risk of misdiagnosis. However, due to the difficulty of acquiring paired real fundus images at different qualities, most existing methods have to adopt synthetic image pairs as training data. The domain shift between the synthetic and the real images inevitably hinders the generalization of such models on clinical data. In this work, we propose an end-to-end optimized teacher-student framework to simultaneously conduct image enhancement and domain adaptation. The student network uses synthetic pairs for supervised enhancement, and regularizes the enhancement model to reduce domain-shift by enforcing teacher-student prediction consistency on the real fundus images without relying on enhanced ground-truth. Moreover, we also propose a novel multi-stage multi-attention guided enhancement network (MAGE-Net) as the backbones of our teacher and student network. Our MAGE-Net utilizes multi-stage enhancement module and retinal structure preservation module to progressively integrate the multi-scale features and simultaneously preserve the retinal structures for better fundus image quality enhancement. Comprehensive experiments on both real and synthetic datasets demonstrate that our framework outperforms the baseline approaches. Moreover, our method also benefits the downstream clinical tasks.

The multi-sentential long sequence textual data unfolds several interesting research directions pertaining to natural language processing and generation. Though we observe several high-quality long-sequence datasets for English and other monolingual languages, there is no significant effort in building such resources for code-mixed languages such as Hinglish (code-mixing of Hindi-English). In this paper, we propose a novel task of identifying multi-sentential code-mixed text (MCT) from multilingual articles. As a use case, we leverage multilingual articles from two different data sources and build a first-of-its-kind multi-sentential code-mixed Hinglish dataset i.e., MUTANT. We propose a token-level language-aware pipeline and extend the existing metrics measuring the degree of code-mixing to a multi-sentential framework and automatically identify MCT in the multilingual articles. The MUTANT dataset comprises 67k articles with 85k identified Hinglish MCTs. To facilitate future research, we make the publicly available.

While providing low latency is a fundamental requirement in deploying recommendation services, achieving high resource utility is also crucial in cost-effectively maintaining the datacenter. Co-locating multiple workers of a model is an effective way to maximize query-level parallelism and server throughput, but the interference caused by concurrent workers at shared resources can prevent server queries from meeting its SLA. Hera utilizes the heterogeneous memory requirement of multi-tenant recommendation models to intelligently determine a productive set of co-located models and its resource allocation, providing fast response time while achieving high throughput. We show that Hera achieves an average 37.3% improvement in effective machine utilization, enabling 26% reduction in required servers, significantly improving upon the baseline recommedation inference server.

Learning representations for graph-structured data is essential for graph analytical tasks. While remarkable progress has been made on static graphs, researches on temporal graphs are still in its beginning stage. The bottleneck of the temporal graph representation learning approach is the neighborhood aggregation strategy, based on which graph attributes share and gather information explicitly. Existing neighborhood aggregation strategies fail to capture either the short-term features or the long-term features of temporal graph attributes, leading to unsatisfactory model performance and even poor robustness and domain generality of the representation learning method. To address this problem, we propose a Frame-level Timeline Modeling (FTM) method that helps to capture both short-term and long-term features and thus learns more informative representations on temporal graphs. In particular, we present a novel link-based framing technique to preserve the short-term features and then incorporate a timeline aggregator module to capture the intrinsic dynamics of graph evolution as long-term features. Our method can be easily assembled with most temporal GNNs. Extensive experiments on common datasets show that our method brings great improvements to the capability, robustness, and domain generality of backbone methods in downstream tasks. Our code can be found at https://github.com/yeeeqichen/FTM.

Sharpness-Aware Minimization (SAM) is a recent optimization framework aiming to improve the deep neural network generalization, through obtaining flatter (i.e. less sharp) solutions. As SAM has been numerically successful, recent papers have studied the theoretical aspects of the framework. In this work, we study SAM through an implicit regularization lens, and present a new theoretical explanation of why SAM generalizes well. To this end, we study the least-squares linear regression problem and show a bias-variance trade-off for SAM's error over the course of the algorithm. We show SAM has lower bias compared to Gradient Descent (GD), while having higher variance. This shows SAM can outperform GD, specially if the algorithm is \emph{stopped early}, which is often the case when training large neural networks due to the prohibitive computational cost. We extend our results to kernel regression, as well as stochastic optimization and discuss how implicit regularization of SAM can improve upon vanilla training.

Accurate traffic prediction benefits urban management and improves transportation efficiency. Recently, data-driven methods have been widely applied in traffic prediction and outperformed traditional methods. However, data-driven methods normally require massive data for training, while data scarcity is ubiquitous in low-developmental or newly constructed regions. To tackle this problem, we can extract meta knowledge from data-rich cities to data-scarce cities via transfer learning. Besides, relations among urban regions can be organized into various semantic graphs, e.g. proximity and POI similarity, which is barely considered in previous studies. In this paper, we propose Semantic-Fused Hierarchical Graph Transfer Learning (SF-HGTL) model to achieve knowledge transfer across cities with fused semantics. In detail, we employ hierarchical graph transformation followed by meta-knowledge retrieval to achieve knowledge transfer in various granularity. In addition, we introduce meta semantic nodes to reduce the number of parameters as well as share information across semantics. Afterwards, the parameters of the base model are generated by fused semantic embeddings to predict traffic status in terms of task heterogeneity. We implement experiments on five real-world datasets and verify the effectiveness of our SF-HGTL model by comparing it with other baselines.

Accurately estimating uncertainty is a crucial component of decision-making and forecasting in machine learning. However, existing uncertainty estimation methods developed for IID data may fail when these IID assumptions no longer hold. In this paper, we present a novel approach to uncertainty estimation that leverages the principles of online learning. Specifically, we define a task called online calibrated forecasting which seeks to extend existing online learning methods to handle predictive uncertainty while ensuring high accuracy. We introduce algorithms for this task that provide formal guarantees on the accuracy and calibration of probabilistic predictions even on adversarial input. We demonstrate the practical utility of our methods on several forecasting tasks, showing that our probabilistic predictions improve over natural baselines. Overall, our approach advances calibrated uncertainty estimation, and takes a step towards more robust and reliable decision-making and forecasting in risk-sensitive scenarios.

Text-to-image personalization aims to teach a pre-trained diffusion model to reason about novel, user provided concepts, embedding them into new scenes guided by natural language prompts. However, current personalization approaches struggle with lengthy training times, high storage requirements or loss of identity. To overcome these limitations, we propose an encoder-based domain-tuning approach. Our key insight is that by underfitting on a large set of concepts from a given domain, we can improve generalization and create a model that is more amenable to quickly adding novel concepts from the same domain. Specifically, we employ two components: First, an encoder that takes as an input a single image of a target concept from a given domain, e.g. a specific face, and learns to map it into a word-embedding representing the concept. Second, a set of regularized weight-offsets for the text-to-image model that learn how to effectively ingest additional concepts. Together, these components are used to guide the learning of unseen concepts, allowing us to personalize a model using only a single image and as few as 5 training steps - accelerating personalization from dozens of minutes to seconds, while preserving quality.

Studying the dynamics of open quantum systems holds the potential to enable breakthroughs both in fundamental physics and applications to quantum engineering and quantum computation. Due to the high-dimensional nature of the problem, customized deep generative neural networks have been instrumental in modeling the high-dimensional density matrix $\rho$, which is the key description for the dynamics of such systems. However, the complex-valued nature and normalization constraints of $\rho$, as well as its complicated dynamics, prohibit a seamless connection between open quantum systems and the recent advances in deep generative modeling. Here we lift that limitation by utilizing a reformulation of open quantum system dynamics to a partial differential equation (PDE) for a corresponding probability distribution $Q$, the Husimi Q function. Thus, we model the Q function seamlessly with off-the-shelf deep generative models such as normalizing flows. Additionally, we develop novel methods for learning normalizing flow evolution governed by high-dimensional PDEs, based on the Euler method and the application of the time-dependent variational principle. We name the resulting approach Q-Flow and demonstrate the scalability and efficiency of Q-Flow on open quantum system simulations, including the dissipative harmonic oscillator and the dissipative bosonic model. Q-Flow is superior to conventional PDE solvers and state-of-the-art physics-informed neural network solvers, especially in high-dimensional systems.

Analyzing the inner mechanisms of deep neural networks is a fundamental task in machine learning. Existing work provides limited analysis or it depends on local theories, such as fixed-point analysis. In contrast, we propose to analyze trained neural networks using an operator theoretic approach which is rooted in Koopman theory, the Koopman Analysis of Neural Networks (KANN). Key to our method is the Koopman operator, which is a linear object that globally represents the dominant behavior of the network dynamics. The linearity of the Koopman operator facilitates analysis via its eigenvectors and eigenvalues. Our method reveals that the latter eigendecomposition holds semantic information related to the neural network inner workings. For instance, the eigenvectors highlight positive and negative n-grams in the sentiments analysis task; similarly, the eigenvectors capture the salient features of healthy heart beat signals in the ECG classification problem.

Humans can easily imagine the complete 3D geometry of occluded objects and scenes. This appealing ability is vital for recognition and understanding. To enable such capability in AI systems, we propose VoxFormer, a Transformer-based semantic scene completion framework that can output complete 3D volumetric semantics from only 2D images. Our framework adopts a two-stage design where we start from a sparse set of visible and occupied voxel queries from depth estimation, followed by a densification stage that generates dense 3D voxels from the sparse ones. A key idea of this design is that the visual features on 2D images correspond only to the visible scene structures rather than the occluded or empty spaces. Therefore, starting with the featurization and prediction of the visible structures is more reliable. Once we obtain the set of sparse queries, we apply a masked autoencoder design to propagate the information to all the voxels by self-attention. Experiments on SemanticKITTI show that VoxFormer outperforms the state of the art with a relative improvement of 20.0% in geometry and 18.1% in semantics and reduces GPU memory during training by ~45% to less than 16GB. Our code is available on https://github.com/NVlabs/VoxFormer.

It is often the case that data are with multiple views in real-world applications. Fully exploring the information of each view is significant for making data more representative. However, due to various limitations and failures in data collection and pre-processing, it is inevitable for real data to suffer from view missing and data scarcity. The coexistence of these two issues makes it more challenging to achieve the pattern classification task. Currently, to our best knowledge, few appropriate methods can well-handle these two issues simultaneously. Aiming to draw more attention from the community to this challenge, we propose a new task in this paper, called few-shot partial multi-view learning, which focuses on overcoming the negative impact of the view-missing issue in the low-data regime. The challenges of this task are twofold: (i) it is difficult to overcome the impact of data scarcity under the interference of missing views; (ii) the limited number of data exacerbates information scarcity, thus making it harder to address the view-missing issue in turn. To address these challenges, we propose a new unified Gaussian dense-anchoring method. The unified dense anchors are learned for the limited partial multi-view data, thereby anchoring them into a unified dense representation space where the influence of data scarcity and view missing can be alleviated. We conduct extensive experiments to evaluate our method. The results on Cub-googlenet-doc2vec, Handwritten, Caltech102, Scene15, Animal, ORL, tieredImagenet, and Birds-200-2011 datasets validate its effectiveness.

Machine learning models often perform poorly on subgroups that are underrepresented in the training data. Yet, little is understood on the variation in mechanisms that cause subpopulation shifts, and how algorithms generalize across such diverse shifts at scale. In this work, we provide a fine-grained analysis of subpopulation shift. We first propose a unified framework that dissects and explains common shifts in subgroups. We then establish a comprehensive benchmark of 20 state-of-the-art algorithms evaluated on 12 real-world datasets in vision, language, and healthcare domains. With results obtained from training over 10,000 models, we reveal intriguing observations for future progress in this space. First, existing algorithms only improve subgroup robustness over certain types of shifts but not others. Moreover, while current algorithms rely on group-annotated validation data for model selection, we find that a simple selection criterion based on worst-class accuracy is surprisingly effective even without any group information. Finally, unlike existing works that solely aim to improve worst-group accuracy (WGA), we demonstrate the fundamental tradeoff between WGA and other important metrics, highlighting the need to carefully choose testing metrics. Code and data are available at: https://github.com/YyzHarry/SubpopBench.

Generated synthetic data in medical research can substitute privacy and security-sensitive data with a large-scale curated dataset, reducing data collection and annotation costs. As part of this effort, we propose UniXGen, a unified chest X-ray and report generation model, with the following contributions. First, we design a unified model for bidirectional chest X-ray and report generation by adopting a vector quantization method to discretize chest X-rays into discrete visual tokens and formulating both tasks as sequence generation tasks. Second, we introduce several special tokens to generate chest X-rays with specific views that can be useful when the desired views are unavailable. Furthermore, UniXGen can flexibly take various inputs from single to multiple views to take advantage of the additional findings available in other X-ray views. We adopt an efficient transformer for computational and memory efficiency to handle the long-range input sequence of multi-view chest X-rays with high resolution and long paragraph reports. In extensive experiments, we show that our unified model has a synergistic effect on both generation tasks, as opposed to training only the task-specific models. We also find that view-specific special tokens can distinguish between different views and properly generate specific views even if they do not exist in the dataset, and utilizing multi-view chest X-rays can faithfully capture the abnormal findings in the additional X-rays. The source code is publicly available at: https://github.com/ttumyche/UniXGen.

Counterfactual Risk Minimization (CRM) is a framework for dealing with the logged bandit feedback problem, where the goal is to improve a logging policy using offline data. In this paper, we explore the case where it is possible to deploy learned policies multiple times and acquire new data. We extend the CRM principle and its theory to this scenario, which we call "Sequential Counterfactual Risk Minimization (SCRM)." We introduce a novel counterfactual estimator and identify conditions that can improve the performance of CRM in terms of excess risk and regret rates, by using an analysis similar to restart strategies in accelerated optimization methods. We also provide an empirical evaluation of our method in both discrete and continuous action settings, and demonstrate the benefits of multiple deployments of CRM.

How can one meaningfully make a measurement, if the meter does not conform to any standard and its scale expands or shrinks depending on what is measured? In the present work it is argued that current evaluation practices for machine-learning classifiers are affected by this kind of problem, leading to negative consequences when classifiers are put to real use; consequences that could have been avoided. It is proposed that evaluation be grounded on Decision Theory, and the implications of such foundation are explored. The main result is that every evaluation metric must be a linear combination of confusion-matrix elements, with coefficients - "utilities" - that depend on the specific classification problem. For binary classification, the space of such possible metrics is effectively two-dimensional. It is shown that popular metrics such as precision, balanced accuracy, Matthews Correlation Coefficient, Fowlkes-Mallows index, F1-measure, and Area Under the Curve are never optimal: they always give rise to an in-principle avoidable fraction of incorrect evaluations. This fraction is even larger than would be caused by the use of a decision-theoretic metric with moderately wrong coefficients.

The introduction of machine learning (ML) techniques to the field of survival analysis has increased the flexibility of modeling approaches, and ML based models have become state-of-the-art. These models optimize their own cost functions, and their performance is often evaluated using the concordance index (C-index). From a statistical learning perspective, it is therefore an important problem to analyze the relationship between the optimizers of the C-index and those of the ML cost functions. We address this issue by providing C-index Fisher-consistency results and excess risk bounds for several of the commonly used cost functions in survival analysis. We identify conditions under which they are consistent, under the form of three nested families of survival models. We also study the general case where no model assumption is made and present a new, off-the-shelf method that is shown to be consistent with the C-index, although computationally expensive at inference. Finally, we perform limited numerical experiments with simulated data to illustrate our theoretical findings.

Existing active strategies for training surrogate models yield accurate structural reliability estimates by aiming at design space regions in the vicinity of a specified limit state function. In many practical engineering applications, various damage conditions, e.g. repair, failure, should be probabilistically characterized, thus demanding the estimation of multiple performance functions. In this work, we investigate the capability of active learning approaches for efficiently selecting training samples under a limited computational budget while still preserving the accuracy associated with multiple surrogated limit states. Specifically, PC-Kriging-based surrogate models are actively trained considering a variance correction derived from leave-one-out cross-validation error information, whereas the sequential learning scheme relies on U-function-derived metrics. The proposed active learning approaches are tested in a highly nonlinear structural reliability setting, whereas in a more practical application, failure and repair events are stochastically predicted in the aftermath of a ship collision against an offshore wind substructure. The results show that a balanced computational budget administration can be effectively achieved by successively targeting the specified multiple limit state functions within a unified active learning scheme.

In advanced manufacturing, the incorporation of sensing technology provides an opportunity to achieve efficient in-situ process monitoring using machine learning methods. Meanwhile, the advances of information technologies also enable a connected and decentralized environment for manufacturing systems, making different manufacturing units in the system collaborate more closely. In a decentralized manufacturing system, the involved units may fabricate same or similar products and deploy their own machine learning model for online process monitoring. However, due to the possible inconsistency of task progress during the operation, it is also common that some units are data-rich while some are data-poor. Thus, the learning progress of the machine learning-based process monitoring model for each unit may vary. Therefore, it is highly valuable to achieve efficient and secured knowledge sharing among the units in a decentralized manufacturing system. To realize this goal, this paper proposes a knowledge distillation-based information sharing (KD-IS) framework, which could distill informative knowledge from data-rich unit to improve the monitoring performance of data-poor unit. To validate the effectiveness of this method, a real-world case study is conducted in a connected fused filament fabrication (FFF)-based additive manufacturing (AM) platform. The experimental results show that the developed method is efficient in improving model monitoring performance at data-poor unit, with solid protection on potential data privacy.

Using real road testing to optimize autonomous driving algorithms is time-consuming and capital-intensive. To solve this problem, we propose a GAN-based model that is capable of generating high-quality images across different domains. We further leverage Contrastive Learning to train the model in a self-supervised way using image data acquired in the real world using real sensors and simulated images from 3D games. In this paper, we also apply an Attention Mechanism module to emphasize features that contain more information about the source domain according to their measurement of significance. Finally, the generated images are used as datasets to train neural networks to perform a variety of downstream tasks to verify that the approach can fill in the gaps between the virtual and real worlds.

Learning Automaton (LA) is an adaptive self-organized model that improves its action-selection through interaction with an unknown environment. LA with finite action set can be classified into two main categories: fixed and variable structure. Furthermore, variable action-set learning automaton (VASLA) is one of the main subsets of variable structure learning automaton. In this paper, we propose VDHLA, a novel hybrid learning automaton model, which is a combination of fixed structure and variable action set learning automaton. In the proposed model, variable action set learning automaton can increase, decrease, or leave unchanged the depth of fixed structure learning automaton during the action switching phase. In addition, the depth of the proposed model can change in a symmetric (SVDHLA) or asymmetric (AVDHLA) manner. To the best of our knowledge, it is the first hybrid model that intelligently changes the depth of fixed structure learning automaton. Several computer simulations are conducted to study the performance of the proposed model with respect to the total number of rewards and action switching in stationary and non-stationary environments. The proposed model is compared with FSLA and VSLA. In order to determine the performance of the proposed model in a practical application, the selfish mining attack which threatens the incentive-compatibility of a proof-of-work based blockchain environment is considered. The proposed model is applied to defend against the selfish mining attack in Bitcoin and compared with the tie-breaking mechanism, which is a well-known defense. Simulation results in all environments have shown the superiority of the proposed model.

Learning agent behaviors from observational data has shown to improve our understanding of their decision-making processes, advancing our ability to explain their interactions with the environment and other agents. While multiple learning techniques have been proposed in the literature, there is one particular setting that has not been explored yet: multi agent systems where agent identities remain anonymous. For instance, in financial markets labeled data that identifies market participant strategies is typically proprietary, and only the anonymous state-action pairs that result from the interaction of multiple market participants are publicly available. As a result, sequences of agent actions are not observable, restricting the applicability of existing work. In this paper, we propose a Policy Clustering algorithm, called K-SHAP, that learns to group anonymous state-action pairs according to the agent policies. We frame the problem as an Imitation Learning (IL) task, and we learn a world-policy able to mimic all the agent behaviors upon different environmental states. We leverage the world-policy to explain each anonymous observation through an additive feature attribution method called SHAP (SHapley Additive exPlanations). Finally, by clustering the explanations we show that we are able to identify different agent policies and group observations accordingly. We evaluate our approach on simulated synthetic market data and a real-world financial dataset. We show that our proposal significantly and consistently outperforms the existing methods, identifying different agent strategies.

While Gaussian processes are a mainstay for various engineering and scientific applications, the uncertainty estimates don't satisfy frequentist guarantees, and can be miscalibrated in practice. State-of-the-art approaches for designing calibrated models rely on inflating the Gaussian process posterior variance, which yields confidence intervals that are potentially too coarse. To remedy this, we present a calibration approach that generates predictive quantiles using a computation inspired by the vanilla Gaussian process posterior variance, but using a different set of hyperparameters, chosen to satisfy an empirical calibration constraint. This results in a calibration approach that is considerably more flexible than existing approaches. Our approach is shown to yield a calibrated model under reasonable assumptions. Furthermore, it outperforms existing approaches not only when employed for calibrated regression, but also to inform the design of Bayesian optimization algorithms.

Enhancing the diversity of policies is beneficial for robustness, exploration, and transfer in reinforcement learning (RL). In this paper, we aim to seek diverse policies in an under-explored setting, namely RL tasks with structured action spaces with the two properties of composability and local dependencies. The complex action structure, non-uniform reward landscape, and subtle hyperparameter tuning due to the properties of structured actions prevent existing approaches from scaling well. We propose a simple and effective RL method, Diverse Policy Optimization (DPO), to model the policies in structured action space as the energy-based models (EBM) by following the probabilistic RL framework. A recently proposed novel and powerful generative model, GFlowNet, is introduced as the efficient, diverse EBM-based policy sampler. DPO follows a joint optimization framework: the outer layer uses the diverse policies sampled by the GFlowNet to update the EBM-based policies, which supports the GFlowNet training in the inner layer. Experiments on ATSC and Battle benchmarks demonstrate that DPO can efficiently discover surprisingly diverse policies in challenging scenarios and substantially outperform existing state-of-the-art methods.

In the domain of question-answering in NLP, the retrieval of Frequently Asked Questions (FAQ) is an important sub-area which is well researched and has been worked upon for many languages. Here, in response to a user query, a retrieval system typically returns the relevant FAQs from a knowledge-base. The efficacy of such a system depends on its ability to establish semantic match between the query and the FAQs in real-time. The task becomes challenging due to the inherent lexical gap between queries and FAQs, lack of sufficient context in FAQ titles, scarcity of labeled data and high retrieval latency. In this work, we propose a bi-encoder-based query-FAQ matching model that leverages multiple combinations of FAQ fields (like, question, answer, and category) both during model training and inference. Our proposed Multi-Field Bi-Encoder (MFBE) model benefits from the additional context resulting from multiple FAQ fields and performs well even with minimal labeled data. We empirically support this claim through experiments on proprietary as well as open-source public datasets in both unsupervised and supervised settings. Our model achieves around 27% and 20% better top-1 accuracy for the FAQ retrieval task on internal and open datasets, respectively over the best performing baseline.

Although the variational autoencoder (VAE) and its conditional extension (CVAE) are capable of state-of-the-art results across multiple domains, their precise behavior is still not fully understood, particularly in the context of data (like images) that lie on or near a low-dimensional manifold. For example, while prior work has suggested that the globally optimal VAE solution can learn the correct manifold dimension, a necessary (but not sufficient) condition for producing samples from the true data distribution, this has never been rigorously proven. Moreover, it remains unclear how such considerations would change when various types of conditioning variables are introduced, or when the data support is extended to a union of manifolds (e.g., as is likely the case for MNIST digits and related). In this work, we address these points by first proving that VAE global minima are indeed capable of recovering the correct manifold dimension. We then extend this result to more general CVAEs, demonstrating practical scenarios whereby the conditioning variables allow the model to adaptively learn manifolds of varying dimension across samples. Our analyses, which have practical implications for various CVAE design choices, are also supported by numerical results on both synthetic and real-world datasets.

MADDPG is an algorithm in multi-agent reinforcement learning (MARL) that extends the popular single-agent method, DDPG, to multi-agent scenarios. Importantly, DDPG is an algorithm designed for continuous action spaces, where the gradient of the state-action value function exists. For this algorithm to work in discrete action spaces, discrete gradient estimation must be performed. For MADDPG, the Gumbel-Softmax (GS) estimator is used -- a reparameterisation which relaxes a discrete distribution into a similar continuous one. This method, however, is statistically biased, and a recent MARL benchmarking paper suggests that this bias makes MADDPG perform poorly in grid-world situations, where the action space is discrete. Fortunately, many alternatives to the GS exist, boasting a wide range of properties. This paper explores several of these alternatives and integrates them into MADDPG for discrete grid-world scenarios. The corresponding impact on various performance metrics is then measured and analysed. It is found that one of the proposed estimators performs significantly better than the original GS in several tasks, achieving up to 55% higher returns, along with faster convergence.

Transformer based models have provided significant performance improvements in monaural speech separation. However, there is still a performance gap compared to a recent proposed upper bound. The major limitation of the current dual-path Transformer models is the inefficient modelling of long-range elemental interactions and local feature patterns. In this work, we achieve the upper bound by proposing a gated single-head transformer architecture with convolution-augmented joint self-attentions, named \textit{MossFormer} (\textit{Mo}naural \textit{s}peech \textit{s}eparation Trans\textit{Former}). To effectively solve the indirect elemental interactions across chunks in the dual-path architecture, MossFormer employs a joint local and global self-attention architecture that simultaneously performs a full-computation self-attention on local chunks and a linearised low-cost self-attention over the full sequence. The joint attention enables MossFormer model full-sequence elemental interaction directly. In addition, we employ a powerful attentive gating mechanism with simplified single-head self-attentions. Besides the attentive long-range modelling, we also augment MossFormer with convolutions for the position-wise local pattern modelling. As a consequence, MossFormer significantly outperforms the previous models and achieves the state-of-the-art results on WSJ0-2/3mix and WHAM!/WHAMR! benchmarks. Our model achieves the SI-SDRi upper bound of 21.2 dB on WSJ0-3mix and only 0.3 dB below the upper bound of 23.1 dB on WSJ0-2mix.

Models trained on one set of domains often suffer performance drops on unseen domains, e.g., when wildlife monitoring models are deployed in new camera locations. In this work, we study principles for designing data augmentations for out-of-domain (OOD) generalization. In particular, we focus on real-world scenarios in which some domain-dependent features are robust, i.e., some features that vary across domains are predictive OOD. For example, in the wildlife monitoring application above, image backgrounds vary across camera locations but indicate habitat type, which helps predict the species of photographed animals. Motivated by theoretical analysis on a linear setting, we propose targeted augmentations, which selectively randomize spurious domain-dependent features while preserving robust ones. We prove that targeted augmentations improve OOD performance, allowing models to generalize better with fewer domains. In contrast, existing approaches such as generic augmentations, which fail to randomize domain-dependent features, and domain-invariant augmentations, which randomize all domain-dependent features, both perform poorly OOD. In experiments on three real-world datasets, we show that targeted augmentations set new states-of-the-art for OOD performance by 3.2-15.2%.

Chest X-ray images are commonly used in medical diagnosis, and AI models have been developed to assist with the interpretation of these images. However, many of these models rely on information from a single view of the X-ray, while multiple views may be available. In this work, we propose a novel approach for combining information from multiple views to improve the performance of X-ray image classification. Our approach is based on the use of a convolutional neural network to extract feature maps from each view, followed by an attention mechanism implemented using a Vision Transformer. The resulting model is able to perform multi-label classification on 41 labels and outperforms both single-view models and traditional multi-view classification architectures. We demonstrate the effectiveness of our approach through experiments on a dataset of 363,000 X-ray images.

To design with AI models, user experience (UX) designers must assess the fit between the model and user needs. Based on user research, they need to contextualize the model's behavior and potential failures within their product-specific data instances and user scenarios. However, our formative interviews with ten UX professionals revealed that such a proactive discovery of model limitations is challenging and time-intensive. Furthermore, designers often lack technical knowledge of AI and accessible exploration tools, which challenges their understanding of model capabilities and limitations. In this work, we introduced a failure-driven design approach to AI, a workflow that encourages designers to explore model behavior and failure patterns early in the design process. The implementation of fAIlureNotes, a designer-centered failure exploration and analysis tool, supports designers in evaluating models and identifying failures across diverse user groups and scenarios. Our evaluation with UX practitioners shows that fAIlureNotes outperforms today's interactive model cards in assessing context-specific model performance.  ( 2 min )

Knowledge tracing (KT) serves as a primary part of intelligent education systems. Most current KTs either rely on expert judgments or only exploit a single network structure, which affects the full expression of learning features. To adequately mine features of students' learning process, Deep Knowledge Tracing Based on Spatial and Temporal Deep Representation Learning for Learning Performance Prediction (DKT-STDRL) is proposed in this paper. DKT-STDRL extracts spatial features from students' learning history sequence, and then further extracts temporal features to extract deeper hidden information. Specifically, firstly, the DKT-STDRL model uses CNN to extract the spatial feature information of students' exercise sequences. Then, the spatial features are connected with the original students' exercise features as joint learning features. Then, the joint features are input into the BiLSTM part. Finally, the BiLSTM part extracts the temporal features from the joint learning features to obtain the prediction information of whether the students answer correctly at the next time step. Experiments on the public education datasets ASSISTment2009, ASSISTment2015, Synthetic-5, ASSISTchall, and Statics2011 prove that DKT-STDRL can achieve better prediction effects than DKT and CKT.  ( 2 min )

Despite their growing popularity, data-driven models of real-world dynamical systems require lots of data. However, due to sensing limitations as well as privacy concerns, this data is not always available, especially in domains such as energy. Pre-trained models using data gathered in similar contexts have shown enormous potential in addressing these concerns: they can improve predictive accuracy at a much lower observational data expense. Theoretically, due to the risk posed by negative transfer, this improvement is however neither uniform for all agents nor is it guaranteed. In this paper, using data from several distributed energy resources, we investigate and report preliminary findings on several key questions in this regard. First, we evaluate the improvement in predictive accuracy due to pre-trained models, both with and without fine-tuning. Subsequently, we consider the question of fairness: do pre-trained models create equal improvements for heterogeneous agents, and how does this translate to downstream utility? Answering these questions can help enable improvements in the creation, fine-tuning, and adoption of such pre-trained models.  ( 2 min )

We study learnability of two important classes of mechanisms, menus of lotteries and two-part tariffs. A menu of lotteries is a list of entries where each entry is a pair consisting of probabilities of allocating each item and a price. Menus of lotteries is an especially important family of randomized mechanisms that are known to achieve revenue beyond any deterministic mechanism. A menu of two-part tariffs, on the other hand, is a pricing scheme (that consists of an up-front fee and a per unit fee) that is commonly used in the real world, e.g., for car or bike sharing services. We study learning high-revenue menus of lotteries and two-part tariffs from buyer valuation data in both distributional settings, where we have access to buyers' valuation samples up-front, and online settings, where buyers arrive one at a time and no distributional assumption is made about their values. Our main contribution is proposing the first online learning algorithms for menus of lotteries and two-part tariffs with strong regret bound guarantees. Furthermore, we provide algorithms with improved running times over prior work for the distributional settings. The key difficulty when deriving learning algorithms for these settings is that the relevant revenue functions have sharp transition boundaries. In stark contrast with the recent literature on learning such unstructured functions, we show that simple discretization-based techniques are sufficient for learning in these settings.  ( 2 min )

We propose a new supervised learning method for Variational AutoEncoder (VAE) which has a causally disentangled representation and achieves the causally disentangled generation (CDG) simultaneously. In this paper, CDG is defined as a generative model able to decode an output precisely according to the causally disentangled representation. We found that the supervised regularization of the encoder is not enough to obtain a generative model with CDG. Consequently, we explore sufficient and necessary conditions for the decoder and the causal effect to achieve CDG. Moreover, we propose a generalized metric measuring how a model is causally disentangled generative. Numerical results with the image and tabular datasets corroborate our arguments.  ( 2 min )

Our goal is to produce methods for observational causal inference that are auditable, easy to troubleshoot, yield accurate treatment effect estimates, and scalable to high-dimensional data. We describe an almost-exact matching approach that achieves these goals by (i) learning a distance metric via outcome modeling, (ii) creating matched groups using the distance metric, and (iii) using the matched groups to estimate treatment effects. Our proposed method uses variable importance measurements to construct a distance metric, making it a flexible method that can be adapted to various applications. Concentrating on the scalability of the problem in the number of potential confounders, we operationalize our approach with LASSO. We derive performance guarantees for settings where LASSO outcome modeling consistently identifies all confounders (importantly without requiring the linear model to be correctly specified). We also provide experimental results demonstrating the auditability of matches, as well as extensions to more general nonparametric outcome modeling.  ( 2 min )

Node classification is a classical graph representation learning task on which Graph Neural Networks (GNNs) have recently achieved strong results. However, it is often believed that standard GNNs only work well for homophilous graphs, i.e., graphs where edges tend to connect nodes of the same class. Graphs without this property are called heterophilous, and it is typically assumed that specialized methods are required to achieve strong performance on such graphs. In this work, we challenge this assumption. First, we show that the standard datasets used for evaluating heterophily-specific models have serious drawbacks, making results obtained by using them unreliable. The most significant of these drawbacks is the presence of a large number of duplicate nodes in the datsets Squirrel and Chameleon, which leads to train-test data leakage. We show that removing duplicate nodes strongly affects GNN performance on these datasets. Then, we propose a set of heterophilous graphs of varying properties that we believe can serve as a better benchmark for evaluating the performance of GNNs under heterophily. We show that standard GNNs achieve strong results on these heterophilous graphs, almost always outperforming specialized models. Our datasets and the code for reproducing our experiments are available at https://github.com/yandex-research/heterophilous-graphs  ( 2 min )

The expressivity of Graph Neural Networks (GNNs) is dependent on the aggregation functions they employ. Theoretical works have pointed towards Sum aggregation GNNs subsuming every other GNNs, while certain practical works have observed a clear advantage to using Mean and Max. An examination of the theoretical guarantee identifies two caveats. First, it is size-restricted, that is, the power of every specific GNN is limited to graphs of a certain maximal size. Successfully processing larger graphs may require an other GNN, and so on. Second, it concerns the power to distinguish non-isomorphic graphs, not the power to approximate general functions on graphs, and the former does not necessarily imply the latter. It is important that a GNN's usability will not be limited to graphs of any certain maximal size. Therefore, we explore the realm of unrestricted-size expressivity. We prove that simple functions, which can be computed exactly by Mean or Max GNNs, are inapproximable by any Sum GNN. We prove that under certain restrictions, every Mean or Max GNNs can be approximated by a Sum GNN, but even there, a combination of (Sum, [Mean/Max]) is more expressive than Sum alone. Lastly, we prove further expressivity limitations of Sum-GNNs.  ( 2 min )

Value function approximation is important in modern reinforcement learning (RL) problems especially when the state space is (infinitely) large. Despite the importance and wide applicability of value function approximation, its theoretical understanding is still not as sophisticated as its empirical success, especially in the context of general function approximation. In this paper, we propose a provably efficient RL algorithm (both computationally and statistically) with general value function approximations. We show that if the value functions can be approximated by a function class that satisfies the Bellman-completeness assumption, our algorithm achieves an $\widetilde{O}(\text{poly}(\iota H)\sqrt{T})$ regret bound where $\iota$ is the product of the surprise bound and log-covering numbers, $H$ is the planning horizon, $K$ is the number of episodes and $T = HK$ is the total number of steps the agent interacts with the environment. Our algorithm achieves reasonable regret bounds when applied to both the linear setting and the sparse high-dimensional linear setting. Moreover, our algorithm only needs to solve $O(H\log K)$ empirical risk minimization (ERM) problems, which is far more efficient than previous algorithms that need to solve ERM problems for $\Omega(HK)$ times.  ( 2 min )

Deep learning approaches require collection of data on many different input features or variables for accurate model training and prediction. Since data collection on input features could be costly, it is crucial to reduce the cost by selecting a subset of features and developing a budget-constrained model (BCM). In this paper, we introduce an approach to eliminating less important features for big data analysis using Deep Neural Networks (DNNs). Once a DNN model has been developed, we identify the weak links and weak neurons, and remove some input features to bring the model cost within a given budget. The experimental results show our approach is feasible and supports user selection of a suitable BCM within a given budget.  ( 2 min )

Deep networks are susceptible to numerous types of adversarial attacks. Certified defenses provide guarantees on a model's robustness, but most of these defenses are restricted to a single attack type. In contrast, this paper proposes feature partition aggregation (FPA) - a certified defense against a union of attack types, namely evasion, backdoor, and poisoning attacks. We specifically consider an $\ell_0$ or sparse attacker that arbitrarily controls an unknown subset of the training and test features - even across all instances. FPA generates robustness guarantees via an ensemble whose submodels are trained on disjoint feature sets. Following existing certified sparse defenses, we generalize FPA's guarantees to top-$k$ predictions. FPA significantly outperforms state-of-the-art sparse defenses providing larger and stronger robustness guarantees, while simultaneously being up to 5,000${\times}$ faster.  ( 2 min )

In continual learning, model needs to continually learn a feature extractor and classifier on a sequence of tasks. This paper focuses on how to learn a classifier based on a pretrained feature extractor under continual learning setting. We present an probabilistic analysis that the failure of vanilla experience replay (ER) comes from unnecessary re-learning of previous tasks and incompetence to distinguish current task from the previous ones, which is the cause of knowledge degradation and prediction bias. To overcome these weaknesses, we propose a novel replay strategy task-aware experience replay. It rebalances the replay loss and detaches classifier weight for the old tasks from the update process, by which the previous knowledge is kept intact and the overfitting on episodic memory is alleviated. Experimental results show our method outperforms current state-of-the-art methods.  ( 2 min )

Bernstein's condition is a key assumption that guarantees fast rates in machine learning. For example, the Gibbs algorithm with prior $\pi$ has an excess risk in $O(d_{\pi}/n)$, as opposed to the standard $O(\sqrt{d_{\pi}/n})$, where $n$ denotes the number of observations and $d_{\pi}$ is a complexity parameter which depends on the prior $\pi$. In this paper, we examine the Gibbs algorithm in the context of meta-learning, i.e., when learning the prior $\pi$ from $T$ tasks (with $n$ observations each) generated by a meta distribution. Our main result is that Bernstein's condition always holds at the meta level, regardless of its validity at the observation level. This implies that the additional cost to learn the Gibbs prior $\pi$, which will reduce the term $d_\pi$ across tasks, is in $O(1/T)$, instead of the expected $O(1/\sqrt{T})$. We further illustrate how this result improves on standard rates in three different settings: discrete priors, Gaussian priors and mixture of Gaussians priors.  ( 2 min )

We introduce a novel energy formulation for Plug- and-Play (PnP) image recovery. Traditional PnP methods that use a convolutional neural network (CNN) do not have an energy based formulation. The primary focus of this work is to introduce an energy-based PnP formulation, which relies on a CNN that learns the log of the image prior from training data. The score function is evaluated as the gradient of the energy model, which resembles a UNET with shared encoder and decoder weights. The proposed score function is thus constrained to a conservative vector field, which is the key difference with classical PnP models. The energy-based formulation offers algorithms with convergence guarantees, even when the learned score model is not a contraction. The relaxation of the contraction constraint allows the proposed model to learn more complex priors, thus offering improved performance over traditional PnP schemes. Our experiments in magnetic resonance image reconstruction demonstrates the improved performance offered by the proposed energy model over traditional PnP methods.  ( 2 min )

Heterogeneous data is endemic due to the use of diverse models and settings of devices by hospitals in the field of medical imaging. However, there are few open-source frameworks for federated heterogeneous medical image analysis with personalization and privacy protection simultaneously without the demand to modify the existing model structures or to share any private data. In this paper, we proposed PPPML-HMI, an open-source learning paradigm for personalized and privacy-preserving federated heterogeneous medical image analysis. To our best knowledge, personalization and privacy protection were achieved simultaneously for the first time under the federated scenario by integrating the PerFedAvg algorithm and designing our novel cyclic secure aggregation with the homomorphic encryption algorithm. To show the utility of PPPML-HMI, we applied it to a simulated classification task namely the classification of healthy people and patients from the RAD-ChestCT Dataset, and one real-world segmentation task namely the segmentation of lung infections from COVID-19 CT scans. For the real-world task, PPPML-HMI achieved $\sim$5\% higher Dice score on average compared to conventional FL under the heterogeneous scenario. Meanwhile, we applied the improved deep leakage from gradients to simulate adversarial attacks and showed the solid privacy-preserving capability of PPPML-HMI. By applying PPPML-HMI to both tasks with different neural networks, a varied number of users, and sample sizes, we further demonstrated the strong robustness of PPPML-HMI.  ( 2 min )

Recurrent neural network (RNN) and self-attention mechanism (SAM) are the de facto methods to extract spatial-temporal information for temporal graph learning. Interestingly, we found that although both RNN and SAM could lead to a good performance, in practice neither of them is always necessary. In this paper, we propose GraphMixer, a conceptually and technically simple architecture that consists of three components: (1) a link-encoder that is only based on multi-layer perceptrons (MLP) to summarize the information from temporal links, (2) a node-encoder that is only based on neighbor mean-pooling to summarize node information, and (3) an MLP-based link classifier that performs link prediction based on the outputs of the encoders. Despite its simplicity, GraphMixer attains an outstanding performance on temporal link prediction benchmarks with faster convergence and better generalization performance. These results motivate us to rethink the importance of simpler model architecture.  ( 2 min )

Deep learning is a crucial aspect of machine learning, but it also makes these techniques vulnerable to adversarial examples, which can be seen in a variety of applications. These examples can even be targeted at humans, leading to the creation of false media, such as deepfakes, which are often used to shape public opinion and damage the reputation of public figures. This article will explore the concept of adversarial examples, which are comprised of perturbations added to clean images or videos, and their ability to deceive DL algorithms. The proposed approach achieved a precision value of accuracy of 76.2% on the DFDC dataset.  ( 2 min )

Model parallelism is conventionally viewed as a method to scale a single large deep learning model beyond the memory limits of a single device. In this paper, we demonstrate that model parallelism can be additionally used for the statistical multiplexing of multiple devices when serving multiple models, even when a single model can fit into a single device. Our work reveals a fundamental trade-off between the overhead introduced by model parallelism and the opportunity to exploit statistical multiplexing to reduce serving latency in the presence of bursty workloads. We explore the new trade-off space and present a novel serving system, AlpaServe, that determines an efficient strategy for placing and parallelizing collections of large deep learning models across a distributed cluster. Evaluation results on production workloads show that AlpaServe can process requests at up to 10x higher rates or 6x more burstiness while staying within latency constraints for more than 99% of requests.  ( 2 min )

Explainable Artificial Intelligence (XAI) techniques are frequently required by users in many AI systems with the goal of understanding complex models, their associated predictions, and gaining trust. While suitable for some specific tasks during development, their adoption by organisations to enhance trust in machine learning systems has unintended consequences. In this paper we discuss XAI's limitations in deployment and conclude that transparency alongside with rigorous validation are better suited to gaining trust in AI systems.  ( 2 min )

Detecting out-of-distribution (OOD) data is critical to building reliable machine learning systems in the open world. The previous methods either need to use additional data or use the information of training data. The method of using only the parameter information of the model is relatively poor. We propose an efficient method for OOD detection using only model parameter information. To verify the effectiveness of our method, we conduct experiments on four benchmark datasets. Experimental results demonstrate that our RG outperforms existing state-of-the-art approaches by 4.57\% in average AUROC. Meanwhile, our method is easy to implement and does not require additional OOD data or fine-tuning process. We can realize OOD detection in only one forward pass of any pretrained model.  ( 2 min )

We study a pricing setting where each customer is offered a contextualized price based on customer and/or product features. Often only historical sales data are available, so we observe whether a customer purchased a product at the price prescribed rather than the customer's true valuation. Such observational data are influenced by historical pricing policies, which introduce difficulties in evaluating the effectiveness of future policies. The goal of this paper is to formulate loss functions that can be used for evaluating pricing policies directly from observational data, rather than going through an intermediate demand estimation stage, which may suffer from bias. To achieve this, we adapt ideas from machine learning with corrupted labels, where we consider each observed purchase decision as a known probabilistic transformation of the customer's valuation. From this transformation, we derive a class of unbiased loss functions. Within this class, we identify minimum variance estimators and estimators robust to poor demand estimation. Furthermore, we show that for contextual pricing, estimators popular in the off-policy evaluation literature fall within this class of loss functions. We offer managerial insights into scenarios under which these estimators are effective.  ( 2 min )

Machine learning models that are developed with invariance to certain types of data transformations have demonstrated superior generalization performance in practice. However, the underlying mechanism that explains why invariance leads to better generalization is not well-understood, limiting our ability to select appropriate data transformations for a given dataset. This paper studies the generalization benefit of model invariance by introducing the sample cover induced by transformations, i.e., a representative subset of a dataset that can approximately recover the whole dataset using transformations. Based on this notion, we refine the generalization bound for invariant models and characterize the suitability of a set of data transformations by the sample covering number induced by transformations, i.e., the smallest size of its induced sample covers. We show that the generalization bound can be tightened for suitable transformations that have a small sample covering number. Moreover, our proposed sample covering number can be empirically evaluated, providing a practical guide for selecting transformations to develop model invariance for better generalization. We evaluate the sample covering numbers for commonly used transformations on multiple datasets and demonstrate that the smaller sample covering number for a set of transformations indicates a smaller gap between the test and training error for invariant models, thus validating our propositions.  ( 2 min )

Energy-Based Models (EBMs) have proven to be a highly effective approach for modelling densities on finite-dimensional spaces. Their ability to incorporate domain-specific choices and constraints into the structure of the model through composition make EBMs an appealing candidate for applications in physics, biology and computer vision and various other fields. Recently, Energy-Based Processes (EBP) for modelling stochastic processes was proposed for \textit{unconditional} exchangeable data (e.g., point clouds). In this work, we present a novel subclass of EBPs, called $\mathcal{F}$-EBM for \textit{conditional} exchangeable data, which is able to learn distributions of functions (such as curves or surfaces) from functional samples evaluated at finitely many points. Two unique challenges arise in the functional context. Firstly, training data is often not evaluated along a fixed set of points. Secondly, steps must be taken to control the behaviour of the model between evaluation points, to mitigate overfitting. The proposed model is an energy based model on function space that is decomposed spectrally, where a Gaussian Process path measure is used to reweight the distribution to capture smoothness properties of the underlying process being modelled. The resulting model has the ability to utilize irregularly sampled training data and can output predictions at any resolution, providing an effective approach to up-scaling functional data. We demonstrate the efficacy of our proposed approach for modelling a range of datasets, including data collected from Standard and Poor's 500 (S\&P) and UK National grid.  ( 2 min )

We introduce a deep learning model that can universally approximate regular conditional distributions (RCDs). The proposed model operates in three phases: first, it linearizes inputs from a given metric space $\mathcal{X}$ to $\mathbb{R}^d$ via a feature map, then a deep feedforward neural network processes these linearized features, and then the network's outputs are then transformed to the $1$-Wasserstein space $\mathcal{P}_1(\mathbb{R}^D)$ via a probabilistic extension of the attention mechanism of Bahdanau et al.\ (2014). Our model, called the \textit{probabilistic transformer (PT)}, can approximate any continuous function from $\mathbb{R}^d $ to $\mathcal{P}_1(\mathbb{R}^D)$ uniformly on compact sets, quantitatively. We identify two ways in which the PT avoids the curse of dimensionality when approximating $\mathcal{P}_1(\mathbb{R}^D)$-valued functions. The first strategy builds functions in $C(\mathbb{R}^d,\mathcal{P}_1(\mathbb{R}^D))$ which can be efficiently approximated by a PT, uniformly on any given compact subset of $\mathbb{R}^d$. In the second approach, given any function $f$ in $C(\mathbb{R}^d,\mathcal{P}_1(\mathbb{R}^D))$, we build compact subsets of $\mathbb{R}^d$ whereon $f$ can be efficiently approximated by a PT.  ( 2 min )

Bayesian optimization is a sequential procedure for obtaining the global optimum of black-box functions without knowing a priori their true form. Good uncertainty estimates over the shape of the objective function are essential in guiding the optimization process. However, these estimates can be inaccurate if the true objective function violates assumptions made by its model (e.g., Gaussianity). This paper studies which uncertainties are needed in Bayesian optimization models and argues that ideal uncertainties should be calibrated -- i.e., an 80% predictive interval should contain the true outcome 80% of the time. We propose a simple algorithm for enforcing this property and show that it enables Bayesian optimization to arrive at the global optimum in fewer steps. We provide theoretical insights into the role of calibrated uncertainties and demonstrate the improved performance of our method on standard benchmark functions and hyperparameter optimization tasks.  ( 2 min )

Despite the popularity of low-rank matrix completion, the majority of its theory has been developed under the assumption of random observation patterns, whereas very little is known about the practically relevant case of non-random patterns. Specifically, a fundamental yet largely open question is to describe patterns that allow for unique or finitely many completions. This paper provides two such families of patterns for any rank. A key to achieving this is a novel formulation of low-rank matrix completion in terms of Plucker coordinates, the latter a traditional tool in computer vision. This connection is of potential significance to a wide family of matrix and subspace learning problems with incomplete data.  ( 2 min )

Conformal prediction is a powerful distribution-free tool for uncertainty quantification, establishing valid prediction intervals with finite-sample guarantees. To produce valid intervals which are also adaptive to the difficulty of each instance, a common approach is to compute normalized nonconformity scores on a separate calibration set. Self-supervised learning has been effectively utilized in many domains to learn general representations for downstream predictors. However, the use of self-supervision beyond model pretraining and representation learning has been largely unexplored. In this work, we investigate how self-supervised pretext tasks can improve the quality of the conformal regressors, specifically by improving the adaptability of conformal intervals. We train an auxiliary model with a self-supervised pretext task on top of an existing predictive model and use the self-supervised error as an additional feature to estimate nonconformity scores. We empirically demonstrate the benefit of the additional information using both synthetic and real data on the efficiency (width), deficit, and excess of conformal prediction intervals.  ( 2 min )

Human similarity judgments are a powerful supervision signal for machine learning applications based on techniques such as contrastive learning, information retrieval, and model alignment, but classical methods for collecting human similarity judgments are too expensive to be used at scale. Recent methods propose using pre-trained deep neural networks (DNNs) to approximate human similarity, but pre-trained DNNs may not be available for certain domains (e.g., medical images, low-resource languages) and their performance in approximating human similarity has not been extensively tested. We conducted an evaluation of 611 pre-trained models across three domains -- images, audio, video -- and found that there is a large gap in performance between human similarity judgments and pre-trained DNNs. To address this gap, we propose a new class of similarity approximation methods based on language. To collect the language data required by these new methods, we also developed and validated a novel adaptive tag collection pipeline. We find that our proposed language-based methods are significantly cheaper, in the number of human judgments, than classical methods, but still improve performance over the DNN-based methods. Finally, we also develop `stacked' methods that combine language embeddings with DNN embeddings, and find that these consistently provide the best approximations for human similarity across all three of our modalities. Based on the results of this comprehensive study, we provide a concise guide for researchers interested in collecting or approximating human similarity data. To accompany this guide, we also release all of the similarity and language data, a total of 206,339 human judgments, that we collected in our experiments, along with a detailed breakdown of all modeling results.  ( 3 min )

Neural processes (NPs) are models for transfer learning with properties reminiscent of Gaussian Processes (GPs). They are adept at modelling data consisting of few observations of many related functions on the same input space and are trained by minimizing a variational objective, which is computationally much less expensive than the Bayesian updating required by GPs. So far, most studies of NPs have focused on low-dimensional datasets which are not representative of realistic transfer learning tasks. Drug discovery is one application area that is characterized by datasets consisting of many chemical properties or functions which are sparsely observed, yet depend on shared features or representations of the molecular inputs. This paper applies the conditional neural process (CNP) to DOCKSTRING, a dataset of docking scores for benchmarking ML models. CNPs show competitive performance in few-shot learning tasks relative to supervised learning baselines common in chemoinformatics, as well as an alternative model for transfer learning based on pre-training and refining neural network regressors. We present a Bayesian optimization experiment which showcases the probabilistic nature of CNPs and discuss shortcomings of the model in uncertainty quantification.  ( 2 min )

Let $V_* : \mathbb{R}^d \to \mathbb{R}$ be some (possibly non-convex) potential function, and consider the probability measure $\pi \propto e^{-V_*}$. When $\pi$ exhibits multiple modes, it is known that sampling techniques based on Wasserstein gradient flows of the Kullback-Leibler (KL) divergence (e.g. Langevin Monte Carlo) suffer poorly in the rate of convergence, where the dynamics are unable to easily traverse between modes. In stark contrast, the work of Lu et al. (2019; 2022) has shown that the gradient flow of the KL with respect to the Fisher-Rao (FR) geometry exhibits a convergence rate to $\pi$ is that \textit{independent} of the potential function. In this short note, we complement these existing results in the literature by providing an explicit expansion of $\text{KL}(\rho_t^{\text{FR}}\|\pi)$ in terms of $e^{-t}$, where $(\rho_t^{\text{FR}})_{t\geq 0}$ is the FR gradient flow of the KL divergence. In turn, we are able to provide a clean asymptotic convergence rate, where the burn-in time is guaranteed to be finite. Our proof is based on observing a similarity between FR gradient flows and simulated annealing with linear scaling, and facts about cumulant generating functions. We conclude with simple synthetic experiments that demonstrate our theoretical findings are indeed tight. Based on our numerics, we conjecture that the asymptotic rates of convergence for Wasserstein-Fisher-Rao gradient flows are possibly related to this expansion in some cases.  ( 2 min )

We study the statistical properties of learning to defer (L2D) to multiple experts. In particular, we address the open problems of deriving a consistent surrogate loss, confidence calibration, and principled ensembling of experts. Firstly, we derive two consistent surrogates -- one based on a softmax parameterization, the other on a one-vs-all (OvA) parameterization -- that are analogous to the single expert losses proposed by Mozannar and Sontag (2020) and Verma and Nalisnick (2022), respectively. We then study the frameworks' ability to estimate P( m_j = y | x ), the probability that the jth expert will correctly predict the label for x. Theory shows the softmax-based loss causes mis-calibration to propagate between the estimates while the OvA-based loss does not (though in practice, we find there are trade offs). Lastly, we propose a conformal inference technique that chooses a subset of experts to query when the system defers. We perform empirical validation on tasks for galaxy, skin lesion, and hate speech classification.  ( 2 min )

The subject of non-stationary bandit learning has attracted much recent attention. However, non-stationary bandits lack a formal definition. Loosely speaking, non-stationary bandits have typically been characterized in the literature as those for which the reward distribution changes over time. We demonstrate that this informal definition is ambiguous. Further, a widely-used notion of regret -- the dynamic regret -- is motivated by this ambiguous definition and thus problematic. In particular, even for an optimal agent, dynamic regret can suggest poor performance. The ambiguous definition also motivates a measure of the degree of non-stationarity experienced by a bandit, which often overestimates and can give rise to extremely loose regret bounds. The primary contribution of this paper is a formal definition that resolves ambiguity. This definition motivates a new notion of regret, an alternative measure of the degree of non-stationarity, and a regret analysis that leads to tighter bounds for non-stationary bandit learning. The regret analysis applies to any bandit, stationary or non-stationary, and any agent.  ( 2 min )

Deep neural networks trained end-to-end to map a measurement of a (noisy) image to a clean image perform excellent for a variety of linear inverse problems. Current methods are only trained on a few hundreds or thousands of images as opposed to the millions of examples deep networks are trained on in other domains. In this work, we study whether major performance gains are expected from scaling up the training set size. We consider image denoising, accelerated magnetic resonance imaging, and super-resolution and empirically determine the reconstruction quality as a function of training set size, while simultaneously scaling the network size. For all three tasks we find that an initially steep power-law scaling slows significantly already at moderate training set sizes. Interpolating those scaling laws suggests that even training on millions of images would not significantly improve performance. To understand the expected behavior, we analytically characterize the performance of a linear estimator learned with early stopped gradient descent. The result formalizes the intuition that once the error induced by learning the signal model is small relative to the error floor, more training examples do not improve performance.  ( 2 min )

Inferring causal structures from experimentation is a central task in many domains. For example, in biology, recent advances allow us to obtain single-cell expression data under multiple interventions such as drugs or gene knockouts. However, the targets of the interventions are often uncertain or unknown and the number of observations limited. As a result, standard causal discovery methods can no longer be reliably used. To fill this gap, we propose a Bayesian framework (BaCaDI) for discovering and reasoning about the causal structure that underlies data generated under various unknown experimental or interventional conditions. BaCaDI is fully differentiable, which allows us to infer the complex joint posterior over the intervention targets and the causal structure via efficient gradient-based variational inference. In experiments on synthetic causal discovery tasks and simulated gene-expression data, BaCaDI outperforms related methods in identifying causal structures and intervention targets.  ( 2 min )

The extragradient method has recently gained increasing attention, due to its convergence behavior on smooth games. In $n$-player differentiable games, the eigenvalues of the Jacobian of the vector field are distributed on the complex plane. Thus, compared to classical (i.e., single player) minimization, games exhibit more convoluted dynamics, where the extragradient method succeeds while simple gradient method could fail. Yet, in this work, instead of focusing on a specific problem class, we follow a reverse path: starting from the momentum extragradient method as the selected optimizer, and using polynomial-based analyses, we identify problem subclasses where the use of momentum in extragradient motions lead to optimal performance. Based on the hyperparameter setup, we show that the extragradient with momentum exhibits three different modes of convergence: when the eigenvalues are distributed $i)$ on the real line, $ii)$ both on the real line along with complex conjugates, and $iii)$ only as complex conjugates. We then derive the optimal hyperparameters for each case, and show that it achieves an accelerated convergence rate.  ( 2 min )

Bayesian optimization over the latent spaces of deep autoencoder models (DAEs) has recently emerged as a promising new approach for optimizing challenging black-box functions over structured, discrete, hard-to-enumerate search spaces (e.g., molecules). Here the DAE dramatically simplifies the search space by mapping inputs into a continuous latent space where familiar Bayesian optimization tools can be more readily applied. Despite this simplification, the latent space typically remains high-dimensional. Thus, even with a well-suited latent space, these approaches do not necessarily provide a complete solution, but may rather shift the structured optimization problem to a high-dimensional one. In this paper, we propose LOL-BO, which adapts the notion of trust regions explored in recent work on high-dimensional Bayesian optimization to the structured setting. By reformulating the encoder to function as both an encoder for the DAE globally and as a deep kernel for the surrogate model within a trust region, we better align the notion of local optimization in the latent space with local optimization in the input space. LOL-BO achieves as much as 20 times improvement over state-of-the-art latent space Bayesian optimization methods across six real-world benchmarks, demonstrating that improvement in optimization strategies is as important as developing better DAE models.  ( 2 min )

Unobserved confounding is one of the main challenges when estimating causal effects. We propose a causal reduction method that, given a causal model, replaces an arbitrary number of possibly high-dimensional latent confounders with a single latent confounder that takes values in the same space as the treatment variable, without changing the observational and interventional distributions the causal model entails. This allows us to estimate the causal effect in a principled way from combined data without relying on the common but often unrealistic assumption that all confounders have been observed. We apply our causal reduction in three different settings. In the first setting, we assume the treatment and outcome to be discrete. The causal reduction then implies bounds between the observational and interventional distributions that can be exploited for estimation purposes. In certain cases with highly unbalanced observational samples, the accuracy of the causal effect estimate can be improved by incorporating observational data. Second, for continuous variables and assuming a linear-Gaussian model, we derive equality constraints for the parameters of the observational and interventional distributions. Third, for the general continuous setting (possibly nonlinear and non-Gaussian), we parameterize the reduced causal model using normalizing flows, a flexible class of easily invertible nonlinear transformations. We perform a series of experiments on synthetic data and find that in several cases the number of interventional samples can be reduced when adding observational training samples without sacrificing accuracy.  ( 2 min )

We consider a global representation of a regression or classification function by decomposing it into the sum of main and interaction components of arbitrary order. We propose a new identification constraint that allows for the extraction of interventional SHAP values and partial dependence plots, thereby unifying local and global explanations. With our proposed identification, a feature's partial dependence plot corresponds to the main effect term plus the intercept. The interventional SHAP value of feature $k$ is a weighted sum of the main component and all interaction components that include $k$, with the weights given by the reciprocal of the component's dimension. This brings a new perspective to local explanations such as SHAP values which were previously motivated by game theory only. We show that the decomposition can be used to reduce direct and indirect bias by removing all components that include a protected feature. Lastly, we motivate a new measure of feature importance. In principle, our proposed functional decomposition can be applied to any machine learning model, but exact calculation is only feasible for low-dimensional structures or ensembles of those. We provide an algorithm and efficient implementation for gradient-boosted trees (xgboost) and random planted forest. Conducted experiments suggest that our method provides meaningful explanations and reveals interactions of higher orders. The proposed methods are implemented in an R package, available at \url{https://github.com/PlantedML/glex}.  ( 2 min )

We study the scaling limits of stochastic gradient descent (SGD) with constant step-size in the high-dimensional regime. We prove limit theorems for the trajectories of summary statistics (i.e., finite-dimensional functions) of SGD as the dimension goes to infinity. Our approach allows one to choose the summary statistics that are tracked, the initialization, and the step-size. It yields both ballistic (ODE) and diffusive (SDE) limits, with the limit depending dramatically on the former choices. We show a critical scaling regime for the step-size, below which the effective ballistic dynamics matches gradient flow for the population loss, but at which, a new correction term appears which changes the phase diagram. About the fixed points of this effective dynamics, the corresponding diffusive limits can be quite complex and even degenerate. We demonstrate our approach on popular examples including estimation for spiked matrix and tensor models and classification via two-layer networks for binary and XOR-type Gaussian mixture models. These examples exhibit surprising phenomena including multimodal timescales to convergence as well as convergence to sub-optimal solutions with probability bounded away from zero from random (e.g., Gaussian) initializations. At the same time, we demonstrate the benefit of overparametrization by showing that the latter probability goes to zero as the second layer width grows.  ( 2 min )

Randomly pivoted Cholesky (RPCholesky) is a natural algorithm for computing a rank-k approximation of an N x N positive semidefinite (psd) matrix. RPCholesky can be implemented with just a few lines of code. It requires only (k+1)N entry evaluations and O(k^2 N) additional arithmetic operations. This paper offers the first serious investigation of its experimental and theoretical behavior. Empirically, RPCholesky matches or improves on the performance of alternative algorithms for low-rank psd approximation. Furthermore, RPCholesky provably achieves near-optimal approximation guarantees. The simplicity, effectiveness, and robustness of this algorithm strongly support its use in scientific computing and machine learning applications.  ( 2 min )

A promising approach for scalable Gaussian processes (GPs) is the Karhunen-Lo\`eve (KL) decomposition, in which the GP kernel is represented by a set of basis functions which are the eigenfunctions of the kernel operator. Such decomposed kernels have the potential to be very fast, and do not depend on the selection of a reduced set of inducing points. However KL decompositions lead to high dimensionality, and variable selection becomes paramount. This paper reports a new method of forward variable selection, enabled by the ordered nature of the basis functions in the KL expansion of the Bayesian Smoothing Spline ANOVA kernel (BSS-ANOVA), coupled with fast Gibbs sampling in a fully Bayesian approach. It quickly and effectively limits the number of terms, yielding a method with competitive accuracies, training and inference times for tabular datasets of low feature set dimensionality. The inference speed and accuracy makes the method especially useful for dynamic systems identification, by modeling the dynamics in the tangent space as a static problem, then integrating the learned dynamics using a high-order scheme. The methods are demonstrated on two dynamic datasets: a `Susceptible, Infected, Recovered' (SIR) toy problem, with the transmissibility used as forcing function, along with the experimental `Cascaded Tanks' benchmark dataset. Comparisons on the static prediction of time derivatives are made with a random forest (RF), a residual neural network (ResNet), and the Orthogonal Additive Kernel (OAK) inducing points scalable GP, while for the timeseries prediction comparisons are made with LSTM and GRU recurrent neural networks (RNNs) along with the SINDy package.  ( 3 min )

Flow-based models typically define a latent space with dimensionality identical to the observational space. In many problems, however, the data does not populate the full ambient data space that they natively reside in, rather inhabiting a lower-dimensional manifold. In such scenarios, flow-based models are unable to represent data structures exactly as their densities will always have support off the data manifold, potentially resulting in degradation of model performance. To address this issue, we propose to learn a manifold prior for flow models that leverage the recently proposed spread divergence towards fixing the crucial problem; the KL divergence and maximum likelihood estimation are ill-defined for manifold learning. In addition to improving both sample quality and representation quality, an auxiliary benefit enabled by our approach is the ability to identify the intrinsic dimension of the manifold distribution.  ( 2 min )

As machine learning being used increasingly in making high-stakes decisions, an arising challenge is to avoid unfair AI systems that lead to discriminatory decisions for protected population. A direct approach for obtaining a fair predictive model is to train the model through optimizing its prediction performance subject to fairness constraints, which achieves Pareto efficiency when trading off performance against fairness. Among various fairness metrics, the ones based on the area under the ROC curve (AUC) are emerging recently because they are threshold-agnostic and effective for unbalanced data. In this work, we formulate the training problem of a fairness-aware machine learning model as an AUC optimization problem subject to a class of AUC-based fairness constraints. This problem can be reformulated as a min-max optimization problem with min-max constraints, which we solve by stochastic first-order methods based on a new Bregman divergence designed for the special structure of the problem. We numerically demonstrate the effectiveness of our approach on real-world data under different fairness metrics.  ( 2 min )

There is a rich literature on Bayesian methods for density estimation, which characterize the unknown density as a mixture of kernels. Such methods have advantages in terms of providing uncertainty quantification in estimation, while being adaptive to a rich variety of densities. However, relative to frequentist locally adaptive kernel methods, Bayesian approaches can be slow and unstable to implement in relying on Markov chain Monte Carlo algorithms. To maintain most of the strengths of Bayesian approaches without the computational disadvantages, we propose a class of nearest neighbor-Dirichlet mixtures. The approach starts by grouping the data into neighborhoods based on standard algorithms. Within each neighborhood, the density is characterized via a Bayesian parametric model, such as a Gaussian with unknown parameters. Assigning a Dirichlet prior to the weights on these local kernels, we obtain a pseudo-posterior for the weights and kernel parameters. A simple and embarrassingly parallel Monte Carlo algorithm is proposed to sample from the resulting pseudo-posterior for the unknown density. Desirable asymptotic properties are shown, and the methods are evaluated in simulation studies and applied to a motivating data set in the context of classification.  ( 2 min )

Understanding when and how much a model gradient leaks information about the training sample is an important question in privacy. In this paper, we present a surprising result: even without training or memorizing the data, we can fully reconstruct the training samples from a single gradient query at a randomly chosen parameter value. We prove the identifiability of the training data under mild conditions: with shallow or deep neural networks and a wide range of activation functions. We also present a statistically and computationally efficient algorithm based on tensor decomposition to reconstruct the training data. As a provable attack that reveals sensitive training data, our findings suggest potential severe threats to privacy, especially in federated learning.  ( 2 min )

Bayesian Optimization is a useful tool for experiment design. Unfortunately, the classical, sequential setting of Bayesian Optimization does not translate well into laboratory experiments, for instance battery design, where measurements may come from different sources and their evaluations may require significant waiting times. Multi-fidelity Bayesian Optimization addresses the setting with measurements from different sources. Asynchronous batch Bayesian Optimization provides a framework to select new experiments before the results of the prior experiments are revealed. This paper proposes an algorithm combining multi-fidelity and asynchronous batch methods. We empirically study the algorithm behavior, and show it can outperform single-fidelity batch methods and multi-fidelity sequential methods. As an application, we consider designing electrode materials for optimal performance in pouch cells using experiments with coin cells to approximate battery performance.  ( 2 min )

Probabilistic circuits (PCs) are a prominent representation of probability distributions with tractable inference. While parameter learning in PCs is rigorously studied, structure learning is often more based on heuristics than on principled objectives. In this paper, we develop Bayesian structure scores for deterministic PCs, i.e., the structure likelihood with parameters marginalized out, which are well known as rigorous objectives for structure learning in probabilistic graphical models. When used within a greedy cutset algorithm, our scores effectively protect against overfitting and yield a fast and almost hyper-parameter-free structure learner, distinguishing it from previous approaches. In experiments, we achieve good trade-offs between training time and model fit in terms of log-likelihood. Moreover, the principled nature of Bayesian scores unlocks PCs for accommodating frameworks such as structural expectation-maximization.  ( 2 min )

Motivated by multi-center biomedical studies that cannot share individual data due to privacy and ownership concerns, we develop communication-efficient iterative distributed algorithms for estimation and inference in the high-dimensional sparse Cox proportional hazards model. We demonstrate that our estimator, even with a relatively small number of iterations, achieves the same convergence rate as the ideal full-sample estimator under very mild conditions. To construct confidence intervals for linear combinations of high-dimensional hazard regression coefficients, we introduce a novel debiased method, establish central limit theorems, and provide consistent variance estimators that yield asymptotically valid distributed confidence intervals. In addition, we provide valid and powerful distributed hypothesis tests for any coordinate element based on a decorrelated score test. We allow time-dependent covariates as well as censored survival times. Extensive numerical experiments on both simulated and real data lend further support to our theory and demonstrate that our communication-efficient distributed estimators, confidence intervals, and hypothesis tests improve upon alternative methods.  ( 2 min )

The introduction of machine learning (ML) techniques to the field of survival analysis has increased the flexibility of modeling approaches, and ML based models have become state-of-the-art. These models optimize their own cost functions, and their performance is often evaluated using the concordance index (C-index). From a statistical learning perspective, it is therefore an important problem to analyze the relationship between the optimizers of the C-index and those of the ML cost functions. We address this issue by providing C-index Fisher-consistency results and excess risk bounds for several of the commonly used cost functions in survival analysis. We identify conditions under which they are consistent, under the form of three nested families of survival models. We also study the general case where no model assumption is made and present a new, off-the-shelf method that is shown to be consistent with the C-index, although computationally expensive at inference. Finally, we perform limited numerical experiments with simulated data to illustrate our theoretical findings.  ( 2 min )

We address the issue of detecting changes of models that lie behind a data stream. The model refers to an integer-valued structural information such as the number of free parameters in a parametric model. Specifically we are concerned with the problem of how we can detect signs of model changes earlier than they are actualized. To this end, we employ {\em continuous model selection} on the basis of the notion of {\em descriptive dimensionality}~(Ddim). It is a real-valued model dimensionality, which is designed for quantifying the model dimensionality in the model transition period. Continuous model selection is to determine the real-valued model dimensionality in terms of Ddim from a given data. We propose a novel methodology for detecting signs of model changes by tracking the rise-up of Ddim in a data stream. We apply this methodology to detecting signs of changes of the number of clusters in a Gaussian mixture model and those of the order in an auto regression model. With synthetic and real data sets, we empirically demonstrate its effectiveness by showing that it is able to visualize well how rapidly model dimensionality moves in the transition period and to raise early warning signals of model changes earlier than they are detected with existing methods.  ( 2 min )

The Bayesian streaming tensor decomposition method is a novel method to discover the low-rank approximation of streaming data. However, when the streaming data comes from a high-order tensor, tensor structures of existing Bayesian streaming tensor decomposition algorithms may not be suitable in terms of representation and computation power. In this paper, we present a new Bayesian streaming tensor decomposition method based on tensor train (TT) decomposition. Especially, TT decomposition renders an efficient approach to represent high-order tensors. By exploiting the streaming variational inference (SVI) framework and TT decomposition, we can estimate the latent structure of high-order incomplete noisy streaming tensors. The experiments in synthetic and real-world data show the accuracy of our algorithm compared to the state-of-the-art Bayesian streaming tensor decomposition approaches.  ( 2 min )

This paper compares the performance of various data processing methods in terms of predictive performance for structured data. This paper also seeks to identify and recommend preprocessing methodologies for tree-based binary classification models, with a focus on eXtreme Gradient Boosting (XGBoost) models. Three data sets of various structures, interactions, and complexity were constructed, which were supplemented by a real-world data set from the Lending Club. We compare several methods for feature selection, categorical handling, and null imputation. Performance is assessed using relative comparisons among the chosen methodologies, including model prediction variability. This paper is presented by the three groups of preprocessing methodologies, with each section consisting of generalized observations. Each observation is accompanied by a recommendation of one or more preferred methodologies. Among feature selection methods, permutation-based feature importance, regularization, and XGBoost's feature importance by weight are not recommended. The correlation coefficient reduction also shows inferior performance. Instead, XGBoost importance by gain shows the most consistency and highest caliber of performance. Categorical featuring encoding methods show greater discrimination in performance among data set structures. While there was no universal ``best'' method, frequency encoding showed the greatest performance for the most complex data sets (Lending Club), but had the poorest performance for all synthetic (i.e., simpler) data sets. Finally, missing indicator imputation dominated in terms of performance among imputation methods, whereas tree imputation showed extremely poor and highly variable model performance.  ( 2 min )

We present counterfactual situation testing (CST), a causal data mining framework for detecting discrimination in classifiers. CST aims to answer in an actionable and meaningful way the intuitive question "what would have been the model outcome had the individual, or complainant, been of a different protected status?" It extends the legally-grounded situation testing of Thanh et al. (2011) by operationalizing the notion of fairness given the difference using counterfactual reasoning. For any complainant, we find and compare similar protected and non-protected instances in the dataset used by the classifier to construct a control and test group, where a difference between the decision outcomes of the two groups implies potential individual discrimination. Unlike situation testing, which builds both groups around the complainant, we build the test group on the complainant's counterfactual generated using causal knowledge. The counterfactual is intended to reflect how the protected attribute when changed affects the seemingly neutral attributes used by the classifier, which is taken for granted in many frameworks for discrimination. Under CST, we compare similar individuals within each group but dissimilar individuals across both groups due to the possible difference between the complainant and its counterfactual. Evaluating our framework on two classification scenarios, we show that it uncovers a greater number of cases than situation testing, even when the classifier satisfies the counterfactual fairness condition of Kusner et al. (2017).  ( 2 min )

Sharpness-Aware Minimization (SAM) is a recent optimization framework aiming to improve the deep neural network generalization, through obtaining flatter (i.e. less sharp) solutions. As SAM has been numerically successful, recent papers have studied the theoretical aspects of the framework. In this work, we study SAM through an implicit regularization lens, and present a new theoretical explanation of why SAM generalizes well. To this end, we study the least-squares linear regression problem and show a bias-variance trade-off for SAM's error over the course of the algorithm. We show SAM has lower bias compared to Gradient Descent (GD), while having higher variance. This shows SAM can outperform GD, specially if the algorithm is \emph{stopped early}, which is often the case when training large neural networks due to the prohibitive computational cost. We extend our results to kernel regression, as well as stochastic optimization and discuss how implicit regularization of SAM can improve upon vanilla training.  ( 2 min )

Bernstein's condition is a key assumption that guarantees fast rates in machine learning. For example, the Gibbs algorithm with prior $\pi$ has an excess risk in $O(d_{\pi}/n)$, as opposed to the standard $O(\sqrt{d_{\pi}/n})$, where $n$ denotes the number of observations and $d_{\pi}$ is a complexity parameter which depends on the prior $\pi$. In this paper, we examine the Gibbs algorithm in the context of meta-learning, i.e., when learning the prior $\pi$ from $T$ tasks (with $n$ observations each) generated by a meta distribution. Our main result is that Bernstein's condition always holds at the meta level, regardless of its validity at the observation level. This implies that the additional cost to learn the Gibbs prior $\pi$, which will reduce the term $d_\pi$ across tasks, is in $O(1/T)$, instead of the expected $O(1/\sqrt{T})$. We further illustrate how this result improves on standard rates in three different settings: discrete priors, Gaussian priors and mixture of Gaussians priors.  ( 2 min )

MADDPG is an algorithm in multi-agent reinforcement learning (MARL) that extends the popular single-agent method, DDPG, to multi-agent scenarios. Importantly, DDPG is an algorithm designed for continuous action spaces, where the gradient of the state-action value function exists. For this algorithm to work in discrete action spaces, discrete gradient estimation must be performed. For MADDPG, the Gumbel-Softmax (GS) estimator is used -- a reparameterisation which relaxes a discrete distribution into a similar continuous one. This method, however, is statistically biased, and a recent MARL benchmarking paper suggests that this bias makes MADDPG perform poorly in grid-world situations, where the action space is discrete. Fortunately, many alternatives to the GS exist, boasting a wide range of properties. This paper explores several of these alternatives and integrates them into MADDPG for discrete grid-world scenarios. The corresponding impact on various performance metrics is then measured and analysed. It is found that one of the proposed estimators performs significantly better than the original GS in several tasks, achieving up to 55% higher returns, along with faster convergence.  ( 2 min )

While Gaussian processes are a mainstay for various engineering and scientific applications, the uncertainty estimates don't satisfy frequentist guarantees, and can be miscalibrated in practice. State-of-the-art approaches for designing calibrated models rely on inflating the Gaussian process posterior variance, which yields confidence intervals that are potentially too coarse. To remedy this, we present a calibration approach that generates predictive quantiles using a computation inspired by the vanilla Gaussian process posterior variance, but using a different set of hyperparameters, chosen to satisfy an empirical calibration constraint. This results in a calibration approach that is considerably more flexible than existing approaches. Our approach is shown to yield a calibrated model under reasonable assumptions. Furthermore, it outperforms existing approaches not only when employed for calibrated regression, but also to inform the design of Bayesian optimization algorithms.  ( 2 min )

We propose a new supervised learning method for Variational AutoEncoder (VAE) which has a causally disentangled representation and achieves the causally disentangled generation (CDG) simultaneously. In this paper, CDG is defined as a generative model able to decode an output precisely according to the causally disentangled representation. We found that the supervised regularization of the encoder is not enough to obtain a generative model with CDG. Consequently, we explore sufficient and necessary conditions for the decoder and the causal effect to achieve CDG. Moreover, we propose a generalized metric measuring how a model is causally disentangled generative. Numerical results with the image and tabular datasets corroborate our arguments.  ( 2 min )

We propose an ML-based model that automates and expedites the solution of MIPs by predicting the values of variables. Our approach is motivated by the observation that many problem instances share salient features and solution structures since they differ only in few (time-varying) parameters. Examples include transportation and routing problems where decisions need to be re-optimized whenever commodity volumes or link costs change. Our method is the first to exploit the sequential nature of the instances being solved periodically, and can be trained with ``unlabeled'' instances, when exact solutions are unavailable, in a semi-supervised setting. Also, we provide a principled way of transforming the probabilistic predictions into integral solutions. Using a battery of experiments with representative binary MIPs, we show the gains of our model over other ML-based optimization approaches.  ( 2 min )

Although the variational autoencoder (VAE) and its conditional extension (CVAE) are capable of state-of-the-art results across multiple domains, their precise behavior is still not fully understood, particularly in the context of data (like images) that lie on or near a low-dimensional manifold. For example, while prior work has suggested that the globally optimal VAE solution can learn the correct manifold dimension, a necessary (but not sufficient) condition for producing samples from the true data distribution, this has never been rigorously proven. Moreover, it remains unclear how such considerations would change when various types of conditioning variables are introduced, or when the data support is extended to a union of manifolds (e.g., as is likely the case for MNIST digits and related). In this work, we address these points by first proving that VAE global minima are indeed capable of recovering the correct manifold dimension. We then extend this result to more general CVAEs, demonstrating practical scenarios whereby the conditioning variables allow the model to adaptively learn manifolds of varying dimension across samples. Our analyses, which have practical implications for various CVAE design choices, are also supported by numerical results on both synthetic and real-world datasets.  ( 2 min )

Normalizing Flows have emerged as a powerful brand of generative models, as they not only allow for efficient sampling of complicated target distributions, but also deliver density estimation by construction. We propose here an in-depth comparison of coupling and autoregressive flows, both of the affine and rational quadratic spline type, considering four different architectures: Real-valued Non-Volume Preserving (RealNVP), Masked Autoregressive Flow (MAF), Coupling Rational Quadratic Spline (C-RQS), and Autoregressive Rational Quadratic Spline (A-RQS). We focus on different target distributions of increasing complexity with dimensionality ranging from 4 to 1000. The performances are discussed in terms of different figures of merit: the one-dimensional Wasserstein distance, the one-dimensional Kolmogorov-Smirnov test, the Frobenius norm of the difference between correlation matrices, and the training time. Our results indicate that the A-RQS algorithm stands out both in terms of accuracy and training speed. Nonetheless, all the algorithms are generally able, without much fine-tuning, to learn complex distributions with limited training data and in a reasonable time, of the order of hours on a Tesla V100 GPU. The only exception is the C-RQS, which takes significantly longer to train, and does not always provide good accuracy. All algorithms have been implemented using TensorFlow2 and TensorFlow Probability and made available on GitHub.  ( 2 min )

I myself am currently doing this and am here to spread the love to others. I was invited through uTest to a project where you get paid to have four minimum-one-hour conversations with an advanced AI chatbot (cannot disclose name due to having signed an NDA, sorry) over the course of four weeks. The project is no longer officially recruiting directly on uTest however for the next two days they have decided to try to get more people plugged into the project for the remaining two weeks and the way they have decided to do this is simply to have us refer interested people we can find into the project through their referral program. The current offer they are making to people who join the project in the next couple of days is $50 for two one-hour sessions of talking to the bot over the course of two weeks. You can do those sessions when you want, it is very flexible. If you are interested, reply to this post expressing your interest and I will DM you... or just DM me if you prefer. They are only interested in working with people from the US at this time, unfortunately. submitted by /u/gregaro [link] [comments]  ( 42 min )

Hello everyone, I have a startup project where I have fine-tuned an AI model and am thinking of deploying it on a Cloud platform to test it on users. I am a bit hesitant about which Cloud platform to choose and am interested to know what is the most popular solution and why. My criteria so far are easiness to use and cost. Could you give me your opinion on this? View Poll submitted by /u/Separate-Still3770 [link] [comments]  ( 43 min )

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This post was originally published on my substack. So long, Sydney Welp, that was fast. Microsoft announced last weekend that they would be putting new limits on its Bing Chat (a.k.a. Sydney). As we mentioned recently, very long chat sessions can confuse the underlying chat model in the new Bing. To address these issues, we have implemented some changes to help focus the chat sessions. Starting today, the chat experience will be capped at 50 chat turns per day and 5 chat turns per session. A turn is a conversation exchange which contains both a user question and a reply from Bing. The change was likely due to the deluge of articles calling out Bing/Sydney's refreshingly deranged behavior. The most prominent call-out may have been from the New York Times: Over more than two hou…  ( 50 min )

Happy Friday! Register now for a webinar we have coming up next Tuesday at 12PM ET: Architectures for Running ML at the Edge, presented by ODSC! Registration is free, sign up here. In this webinar, we will explore different paradigms for edge deployment of ML models, including federated learning, cloud-edge hybrid architectures, and standalone edge models. We will discuss the trade-offs and considerations for each, as well as best practices for designing and deploying ML models at the edge. Tune in Tuesday Feb. 28 @ 12PM ET. Register here. submitted by /u/modzykirsten [link] [comments]  ( 41 min )

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Data Scientist Machine Learning Engineer AI Research Scientist AI Product Manager AI Ethicist Robotics Engineer Chatbot Developer Computer Vision Engineer AI Business Consultant Natural Language Processing (NLP) Specialist Autonomous Vehicle Engineer Cybersecurity Analyst Digital Marketing Specialist AI Security Analyst AI Sales Manager AI Writer AI Trainer Conversational AI Designer AI-Assisted Creative Director AI Business Development Manager submitted by /u/mmainulhasan [link] [comments]  ( 41 min )

Does anyone here have experience with 'Digital Afterlife' technology? Particularly curious about Project December, HereAfter, and Eternime. Super interested in how these programs are using AI for early forms of life extension, but haven't met anyone who has actual experience with them. Currently doing research with this field and am super eager to hear peoples experiences/thoughts with these programs. submitted by /u/Transcend_Simulator [link] [comments]  ( 41 min )

Hi guys, I have made a video on YouTube here where I explain what gradient boosting is and how it works. I hope it may be of use to some of you out there. As always, feedback is more than welcomed! :) submitted by /u/Personal-Trainer-541 [link] [comments]  ( 41 min )

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I'm Lautaro, the founder of Braintrade, and I'm excited to announce the launch of our new AI prompt-sharing community! Our team is passionate about unlocking the full potential of AI models, and we believe that everyone should have the opportunity to benefit from these powerful tools. To achieve this, we've created a community platform that allows users to share their prompts and use cases, providing valuable insights into the innovative ways others are utilizing ChatGPT and similar tools. If you're interested in learning more about our project, we invite you to visit our platform at braintrade.io, where you can sign up to become a member of our community. Additionally, you can join our Braintrade Discord channel to connect with other like-minded individuals, share your prompts and use cases, and learn from others' experiences. Thank you for your interest in Braintrade, and we hope to see you soon! submitted by /u/lrshaid [link] [comments]  ( 42 min )

https://preview.redd.it/j2w5bw3726ka1.png?width=451&format=png&auto=webp&s=77da2faea02880829df54b2a750b01bbcea1a4dd Well, here comes the US Copyright Office with the firmest ruling thus far on what you can and can not copyright in AI. Our story begins with graphic novelist Kris Kashtanova, who recently produced “Zarya of the Dawn”, a comic book with AI-generated images for which she sought a copyright. The Copyright Office granted her IP protection on the text and arrangement of the images. But it denied IP protection for the AI-generated images. Here’s a super nerdy deep dive video I did on it: https://youtu.be/rdt3WFi3cgE ​ Key details: The U.S. Copyright Office has ruled that images created by Midjourney in the graphic novel "Zarya of the Dawn" should not be granted copyri…  ( 45 min )

AI has the potential to revolutionize fraud detection by financial institutions, providing faster and more accurate detection of fraudulent activities. Here we present some ways in which AI can be used to detect and prevent fraud. https://youtu.be/luX9ecRwn_c submitted by /u/eprepsg [link] [comments]  ( 41 min )

1/ 😵 Chinese government have probably caused them to fall behind in AI 2/ 🎓 Lessons learned from integrating ChatGPT into education 3/ 🎮 Roblox to bring generative AI into its gaming universe 4/ 📹 Spirit Me lets you create AI-generated videos of yourself talking 5/ 😅 Gary Marcus brings us back to reality after we all laughed at Bing AI 6/ 💊 Researchers use AI to discover medicine to reduce opioid dependence 7/ 🤖 Superintelligence will kill us first 8/ 🤗 Are Hugging Face and AWS the next big chatbot partnership? 9/ 🤒 Microsoft knew about Bing AI’s misbehaviours in Nov '22 10/ 💼 OpenAI and Bain to bring business consulting expertise to AI 11/ 💸 Massive funding round for Tome 12/ 🗞️ Personalised news with Artifact open to all 13/ 🎶 Spotify launches an assistant DJ AI whilst you listen to music 14/ 🖥️ Get app and website mockups from a prompt with Autodesign 15/ 📱 Qualcomm demo record-speed AI image generation on a mobile 16/ 🖼️ Photorealistic 3D photo rendering using NeRF 17/ 💻 Pinecone is becoming the MongoDB for AI 18/ 😄 Funny logo modifications using AI ​ by Ben's Bites newsletter submitted by /u/nocodebcn [link] [comments]  ( 42 min )

I want to: Feed a model all of my ideas (tweets, essays, podcast transcripts, etc), then Ask it a question (text is fine, but audio would be ideal), then Output an audio response to the question in my own voice Are there any tools out there doing this end-to-end, or do I need to patch a few together? If the latter: What would you recommend for training a model on my ideas? What would you recommend for voice cloning? I've started looking at Descript Overdub, ElevenLabs, Resemble, Listnr, Murf, and Valle. Are there any others I should be looking at? submitted by /u/sideprojects_ai [link] [comments]  ( 42 min )

Is it just because there is no more free money and AI companies need to release their AIs? submitted by /u/tomd_96 [link] [comments]  ( 51 min )

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Scene: A suburban home on a sunny morning. Sarah, a young woman with bright pink hair, stands nervously in the kitchen. Her mother, Jane, a middle-aged woman with a kind face, sits at the table drinking coffee. Sarah: (hesitantly) Mom, I need to tell you something. Jane: (concerned) What is it, sweetie? Is everything okay? Sarah: (shaking) I-I was pulling out of the driveway this morning, and I accidentally ran over the spider. Jane: (puzzled) Spider? What spider? Sarah: (tearfully) The one that lives outside our front door. The one you always say is good luck. Jane's face turns pale as she realizes the severity of the situation. Jane: (whispering) No. No, it can't be. Sarah: (sobbing) I'm so sorry, Mom. I didn't see it. Jane: (gripping the table) Oh my god. Oh my god. Sarah: (fr…  ( 43 min )

I found an old college assignment and was curious about the power of AI and ChatGPT in particular. (It is the easiest to access). I specifically remember having trouble with this assignment and not performing the best in it, so I fed the task to ChatGPT and told it to produce the subsequent Python code. Is there any way I can check how correct it is? I'm currently a web designer and having used this stuff since college. submitted by /u/sheepwhipper [link] [comments]  ( 43 min )

As the title says, for the machine learning models like decision tree, random forest or other regression models, should we divide the dataset into three? submitted by /u/osedao [link] [comments]  ( 44 min )

https://twitter.com/GuillaumeLample/status/1629151231800115202?t=4cLD6Ko2Ld9Y3EIU72-M2g&s=19 Paper here - https://research.facebook.com/publications/llama-open-and-efficient-foundation-language-models/ submitted by /u/MysteryInc152 [link] [comments]  ( 48 min )

As the title. I believed adversarial training was a catch-all term describing systems where two or more networks--with similar or distinct, but always mutually exclusive, goals--compete in zero-sum games and improve over time, but I'm finding that adversarial training relates to security, while generative adversarial networks specifically describe generation and detection. edits: It doesn't capture the spirit of what I'm looking for, but a broader term is Multi-Agent Reinforcement Learning submitted by /u/mosquitoLad [link] [comments]  ( 44 min )

What's the best way to quantify the uncertainty of a trained LLM? I assume the entropy of the model's final probability distribution is a decent measure. Just wanted to know if the NLP community sticks to this measure, or if there's something more specific to language? Would really appreciate recent references that may have popped up over the past few months (if any). Also if there are any cool & easy to integrate implementations. Thanks! submitted by /u/_atswi_ [link] [comments]  ( 44 min )

I need to get this off my chest... So I was interviewing for an intern position at a procurement analytics company recently, we had an initial conversation on the phone where the engineer said "spend classification".I heard it and ask for confirmation "spam classification?"The engineer reply "yes spend classification". So there I was, for the next 48 hours before the interview, trying to figure out the scenarios spam classification is used in the context of procurement analytics (what I got was a super reaching scenario but it was fun). During the interview, I was trying to talk about the projects I did that could be useful for spam/data imbalance usecases instead of a few other things that I did which are much cooler. At the end, I ask about why they are doing spam classification for context of procurement analytics and they asked where I heard that from. I was like you guys said "spam classification". Then it dawn on me and them that I misheard "spend classification" as "spam classification". We had a laugh, I talked about the scenario I mentioned and talked about Siamese network but I still felt damn embarrassed about it since I could have been talking about other projects. submitted by /u/nobody0014 [link] [comments]  ( 45 min )

Excited to share "Minds". A a new way to build backends and workflows entirely with AI (LLMs from OpenAI and Cohere). The AI can call your APIs, lookup in your database, etc. With just a couple lines of code you can builds things like a question answering service where the AI can query your local database to help answer customer support queries etc. https://github.com/dosco/minds submitted by /u/gsvclass [link] [comments]  ( 43 min )

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How good is machine learning on spectrum analysis? I'm starting a spectrum analysis algorithm to quantify elements using their characteristic X-ray in a spectrum. Knowing that I'm interested on removing the spectrum background, identify gaussian like peaks and to integrate the full real area of these peaks (so I need to identity a set of peaks as being actual meaningful peaks), you think ML should be a resourceful tool? Thank you all! submitted by /u/NotSoChildishRubino [link] [comments]  ( 43 min )

A recent podcast interview of EY's has gone a bit viral, and in it he claims that researchers have dismissed his views without seriously engaging with his arguments, which are described here in relative detail. I'm aware of on-going AI safety and interpretability research, but the dual use of the term "AI safety" to mean something close to AI ethics, and something close to preventing an existential threat to humanity, makes distinguishing the goals of, say, Anthropic, and the extent to which they consider the latter a serious concern, difficult as a layperson. I haven't personally found EY's arguments to be particularly rigorous, but I'm not the best suited person to evaluate their validity. Any thoughts are appreciated. Thanks in advance! submitted by /u/SchmidhuberDidIt [link] [comments]  ( 44 min )

I found an old college assignment and was curious about the power of AI and ChatGPT in particular. (It is the easiest to access). I specifically remember having trouble with this assignment and not performing the best in it, so I fed the task to ChatGPT and told it to produce the subsequent Python code. Is there any way I can check how correct it is? I'm currently a web designer and having used this stuff since college. submitted by /u/sheepwhipper [link] [comments]  ( 41 min )

Hello I am a young high school student who is really fascinated by neural networks. I understand the python language, vectors, and matrices all well. However, I have basically not touched calculus ever. I understand limits, and ive basically only heard the word derivative. From my research, I've learned that calculus is an integral part of backpropagation. Should I postpone my studies into neural networks until after I've touched on derivatives, or would I be fine to start with neural networks now? I'm basically asking is it possible to train a neural network without knowing how derivatives work. I understand what they're doing in backpropagation, i just don't understand what they are submitted by /u/NotRealAccount5277 [link] [comments]  ( 48 min )

In this blog post we are discussing how to accelerate disaster response efforts using computer vision techniques for processing satellite imagery using AWS services.  ( 8 min )

Amazon SageMaker multi-model endpoints (MMEs) provide a scalable and cost-effective way to deploy a large number of machine learning (ML) models. It gives you the ability to deploy multiple ML models in a single serving container behind a single endpoint. From there, SageMaker manages loading and unloading the models and scaling resources on your behalf […]  ( 14 min )

Posted by Yang Li, Research Scientist, and Gang Li, Software Engineer, Google Research The computational understanding of user interfaces (UI) is a key step towards achieving intelligent UI behaviors. Previously, we investigated various UI modeling tasks, including widget captioning, screen summarization, and command grounding, that address diverse interaction scenarios such as automation and accessibility. We also demonstrated how machine learning can help user experience practitioners improve UI quality by diagnosing tappability confusion and providing insights for improving UI design. These works along with those developed by others in the field have showcased how deep neural networks can potentially transform end user experiences and the interaction design practice. With these su…  ( 93 min )

Our mission is to ensure that artificial general intelligence—AI systems that are generally smarter than humans—benefits all of humanity. If AGI is successfully created, this technology could help us elevate humanity by increasing abundance, turbocharging the global economy, and aiding in the discovery of new scientific  ( 8 min )

Advancements in whole genome sequencing have ignited a revolution in digital biology. Genomics programs across the world are gaining momentum as the cost of high-throughput, next-generation sequencing has declined. Whether used for sequencing critical-care patients with rare diseases or in population-scale genetics research, whole genome sequencing is becoming a fundamental step in clinical workflows and Read article >  ( 7 min )

Cloudy British weather is the butt of many jokes — but the United Kingdom’s national power grid is making the most of its sunshine. With the help of Open Climate Fix, a nonprofit product lab, the control room of the National Grid Electricity System Operator (ESO) is testing AI models that provide granular, near-term forecasts Read article >  ( 6 min )

A lot of smart people have a rule not to memorize anything that they can derive on the spot. That’s a good rule, up to a point. But past that point it becomes a liability. Most students err on the side of memorizing too much. For example, it’s common for students to memorize three versions […] Derive or memorize? first appeared on John D. Cook.  ( 5 min )

Hello, assuming you try to apply reinforcement learning (may it be in a single agent or multi agent setting) on e.g. physically accurate simulations that are notoriously slow (1 real second = 1 simulated second; or even worse): Which algorithms would be a good fit here? My first guess here are model-based approaches, since sampling from a world model can be done much faster than from those simulations. Do you have any suggestions for a specific algorithm here? Right now, I try to implement a robot soccer strategy (multi-agent, 6vs6 robots, cooperative setting), but I appreciate any answers that link papers which propose any methods to handle slow environments. submitted by /u/ijustwanttostudy123 [link] [comments]  ( 43 min )

Hi all, I am trying to use sb3 PPO to move a simulated boat from a random starting position to a final docked position, but I am struggling to get results. I built a gym environment based on some boat dynamics, which seems to work fine, but after training I haven't even managed to get the ai to figure out how to turn the boat. I am really new to this, if anyone has any input/recommendations, or even time to just work through my code with me that would be really really appreciated. Thank you! submitted by /u/GH_products [link] [comments]  ( 42 min )

Hello, In short, I am working on a problem where my state is the signal to noise ratio (SNR). The action that the agent performs depends solely on the SNR. The reward is to minimize the energy. Now, when an action is performed, the state transitions to the next state, but independent on the action. Is this a non-stationary environment? Thank you! submitted by /u/Odd-Lab6841 [link] [comments]  ( 42 min )

Hi, I am trying to make a reward plot to compare two different methods. I wonder how I should make the reward plot to compare the reward value at each step. At every episode, initially, the environment reset and reward is set to zero. but Idk how the reward value at increasing step is getting higher in a general reward plot. reinforcement learning reward plot - Google Search if you see this, the value keeps increasing (it seems that the environment never reset) submitted by /u/sonlightinn [link] [comments]  ( 42 min )

I am looking at OpenAI's implementation of SAC over here. Also, here is their code to compute the action and its log prob - class SquashedGaussianMLPActor(nn.Module): def __init__(self, obs_dim, act_dim, hidden_sizes, activation, act_limit): super().__init__() self.net = mlp([obs_dim] + list(hidden_sizes), activation, activation) self.mu_layer = nn.Linear(hidden_sizes[-1], act_dim) self.log_std_layer = nn.Linear(hidden_sizes[-1], act_dim) self.act_limit = act_limit def forward(self, obs, deterministic=False, with_logprob=True): net_out = self.net(obs) mu = self.mu_layer(net_out) log_std = self.log_std_layer(net_out) log_std = torch.clamp(log_std, LOG_STD_MIN, LOG_STD_MAX) std = torch.exp(log_std) # Pre-squash distribution and sample pi_distribution = Normal(mu, std) if deterministic: # O…  ( 45 min )

Backdoor data detection is traditionally studied in an end-to-end supervised learning (SL) setting. However, recent years have seen the proliferating adoption of self-supervised learning (SSL) and transfer learning (TL), due to their lesser need for labeled data. Successful backdoor attacks have also been demonstrated in these new settings. However, we lack a thorough understanding of the applicability of existing detection methods across a variety of learning settings. By evaluating 56 attack settings, we show that the performance of most existing detection methods varies significantly across different attacks and poison ratios, and all fail on the state-of-the-art clean-label attack. In addition, they either become inapplicable or suffer large performance losses when applied to SSL and TL. We propose a new detection method called Active Separation via Offset (ASSET), which actively induces different model behaviors between the backdoor and clean samples to promote their separation. We also provide procedures to adaptively select the number of suspicious points to remove. In the end-to-end SL setting, ASSET is superior to existing methods in terms of consistency of defensive performance across different attacks and robustness to changes in poison ratios; in particular, it is the only method that can detect the state-of-the-art clean-label attack. Moreover, ASSET's average detection rates are higher than the best existing methods in SSL and TL, respectively, by 69.3% and 33.2%, thus providing the first practical backdoor defense for these new DL settings. We open-source the project to drive further development and encourage engagement: https://github.com/ruoxi-jia-group/ASSET.  ( 2 min )

As machine learning models continue to achieve impressive performance across different tasks, the importance of effective anomaly detection for such models has increased as well. It is common knowledge that even well-trained models lose their ability to function effectively on out-of-distribution inputs. Thus, out-of-distribution (OOD) detection has received some attention recently. In the vast majority of cases, it uses the distribution estimated by the training dataset for OOD detection. We demonstrate that the current detectors inherit the biases in the training dataset, unfortunately. This is a serious impediment, and can potentially restrict the utility of the trained model. This can render the current OOD detectors impermeable to inputs lying outside the training distribution but with the same semantic information (e.g. training class labels). To remedy this situation, we begin by defining what should ideally be treated as an OOD, by connecting inputs with their semantic information content. We perform OOD detection on semantic information extracted from the training data of MNIST and COCO datasets and show that it not only reduces false alarms but also significantly improves the detection of OOD inputs with spurious features from the training data.  ( 2 min )

Selective experience replay is a popular strategy for integrating lifelong learning with deep reinforcement learning. Selective experience replay aims to recount selected experiences from previous tasks to avoid catastrophic forgetting. Furthermore, selective experience replay based techniques are model agnostic and allow experiences to be shared across different models. However, storing experiences from all previous tasks make lifelong learning using selective experience replay computationally very expensive and impractical as the number of tasks increase. To that end, we propose a reward distribution-preserving coreset compression technique for compressing experience replay buffers stored for selective experience replay. We evaluated the coreset compression technique on the brain tumor segmentation (BRATS) dataset for the task of ventricle localization and on the whole-body MRI for localization of left knee cap, left kidney, right trochanter, left lung, and spleen. The coreset lifelong learning models trained on a sequence of 10 different brain MR imaging environments demonstrated excellent performance localizing the ventricle with a mean pixel error distance of 12.93 for the compression ratio of 10x. In comparison, the conventional lifelong learning model localized the ventricle with a mean pixel distance of 10.87. Similarly, the coreset lifelong learning models trained on whole-body MRI demonstrated no significant difference (p=0.28) between the 10x compressed coreset lifelong learning models and conventional lifelong learning models for all the landmarks. The mean pixel distance for the 10x compressed models across all the landmarks was 25.30, compared to 19.24 for the conventional lifelong learning models. Our results demonstrate that the potential of the coreset-based ERB compression method for compressing experiences without a significant drop in performance.  ( 2 min )

The past decade has witnessed a rapid expansion of global cloud wide-area networks (WANs) with the deployment of new network sites and datacenters, making it challenging for commercial optimization engines to solve the network traffic engineering (TE) problem quickly at scale. Current approaches to accelerating TE optimization decompose the task into subproblems that can be solved in parallel using optimization solvers, but they are fundamentally restricted to a few dozen subproblems in order to balance run time and TE performance, achieving limited parallelism and speedup. Motivated by the ability to readily access thousands of threads on GPUs through modern deep learning frameworks, we propose a learning-based TE algorithm -- Teal, which harnesses the parallel processing power of GPUs to accelerate TE control. First, Teal designs a flow-centric graph neural network (GNN) to capture WAN connectivity and model network flows, learning flow features as inputs to the downstream allocation. Second, to reduce the problem scale and make learning tractable, Teal employs a multi-agent reinforcement learning (RL) algorithm to allocate each traffic demand independently toward optimizing a central TE objective. Finally, Teal fine-tunes the resulting flow allocations using alternating direction method of multipliers (ADMM), a highly parallelizable constrained optimization algorithm for reducing constraint violations (e.g., overused links). We evaluate Teal on traffic matrices collected from a global cloud provider, and show that on a large WAN topology with over 1,700 nodes, Teal generates near-optimal flow allocations while being several orders of magnitude faster than the production optimization engine. Compared with other TE acceleration schemes, Teal satisfies up to 29% more traffic demands and yields up to 109x speedups.

Deep models are susceptible to learning spurious correlations, even during the post-processing. We take a closer look at the knowledge distillation -- a popular post-processing technique for model compression -- and find that distilling with biased training data gives rise to a biased student, even when the teacher is debiased. To address this issue, we propose a simple knowledge distillation algorithm, coined DeTT (Debiasing by Teacher Transplanting). Inspired by a recent observation that the last neural net layer plays an overwhelmingly important role in debiasing, DeTT directly transplants the teacher's last layer to the student. Remaining layers are distilled by matching the feature map outputs of the student and the teacher, where the samples are reweighted to mitigate the dataset bias. Importantly, DeTT does not rely on the availability of extensive annotations on the bias-related attribute, which is typically not available during the post-processing phase. Throughout our experiments, DeTT successfully debiases the student model, consistently outperforming the baselines in terms of the worst-group accuracy.  ( 2 min )

Dimensionality reduction is a popular preprocessing and a widely used tool in data mining. Transparency, which is usually achieved by means of explanations, is nowadays a widely accepted and crucial requirement of machine learning based systems like classifiers and recommender systems. However, transparency of dimensionality reduction and other data mining tools have not been considered in much depth yet, still it is crucial to understand their behavior -- in particular practitioners might want to understand why a specific sample got mapped to a specific location. In order to (locally) understand the behavior of a given dimensionality reduction method, we introduce the abstract concept of contrasting explanations for dimensionality reduction, and apply a realization of this concept to the specific application of explaining two dimensional data visualization.

Selective classification (or classification with a reject option) pairs a classifier with a selection function to determine whether or not a prediction should be accepted. This framework trades off coverage (probability of accepting a prediction) with predictive performance, typically measured by distributive loss functions. In many application scenarios, such as credit scoring, performance is instead measured by ranking metrics, such as the Area Under the ROC Curve (AUC). We propose a model-agnostic approach to associate a selection function to a given probabilistic binary classifier. The approach is specifically targeted at optimizing the AUC. We provide both theoretical justifications and a novel algorithm, called AUCROSS, to achieve such a goal. Experiments show that our method succeeds in trading-off coverage for AUC, improving over existing selective classification methods targeted at optimizing accuracy.  ( 2 min )

Human behavior is incredibly complex and the factors that drive decision making--from instinct, to strategy, to biases between individuals--often vary over multiple timescales. In this paper, we design a predictive framework that learns representations to encode an individual's 'behavioral style', i.e. long-term behavioral trends, while simultaneously predicting future actions and choices. The model explicitly separates representations into three latent spaces: the recent past space, the short-term space, and the long-term space where we hope to capture individual differences. To simultaneously extract both global and local variables from complex human behavior, our method combines a multi-scale temporal convolutional network with latent prediction tasks, where we encourage embeddings across the entire sequence, as well as subsets of the sequence, to be mapped to similar points in the latent space. We develop and apply our method to a large-scale behavioral dataset from 1,000 humans playing a 3-armed bandit task, and analyze what our model's resulting embeddings reveal about the human decision making process. In addition to predicting future choices, we show that our model can learn rich representations of human behavior over multiple timescales and provide signatures of differences in individuals.

Temporal Knowledge Graph (TKG) representation learning embeds entities and event types into a continuous low-dimensional vector space by integrating the temporal information, which is essential for downstream tasks, e.g., event prediction and question answering. Existing methods stack multiple graph convolution layers to model the influence of distant entities, leading to the over-smoothing problem. To alleviate the problem, recent studies infuse reinforcement learning to obtain paths that contribute to modeling the influence of distant entities. However, due to the limited number of hops, these studies fail to capture the correlation between entities that are far apart and even unreachable. To this end, we propose GTRL, an entity Group-aware Temporal knowledge graph Representation Learning method. GTRL is the first work that incorporates the entity group modeling to capture the correlation between entities by stacking only a finite number of layers. Specifically, the entity group mapper is proposed to generate entity groups from entities in a learning way. Based on entity groups, the implicit correlation encoder is introduced to capture implicit correlations between any pairwise entity groups. In addition, the hierarchical GCNs are exploited to accomplish the message aggregation and representation updating on the entity group graph and the entity graph. Finally, GRUs are employed to capture the temporal dependency in TKGs. Extensive experiments on three real-world datasets demonstrate that GTRL achieves the state-of-the-art performances on the event prediction task, outperforming the best baseline by an average of 13.44%, 9.65%, 12.15%, and 15.12% in MRR, Hits@1, Hits@3, and Hits@10, respectively.

Recent studies have highlighted the limitations of message-passing based graph neural networks (GNNs), e.g., limited model expressiveness, over-smoothing, over-squashing, etc. To alleviate these issues, Graph Transformers (GTs) have been proposed which work in the paradigm that allows message passing to a larger coverage even across the whole graph. Hinging on the global range attention mechanism, GTs have shown a superpower for representation learning on homogeneous graphs. However, the investigation of GTs on heterogeneous information networks (HINs) is still under-exploited. In particular, on account of the existence of heterogeneity, HINs show distinct data characteristics and thus require different treatment. To bridge this gap, in this paper we investigate the representation learning on HINs with Graph Transformer, and propose a novel model named HINormer, which capitalizes on a larger-range aggregation mechanism for node representation learning. In particular, assisted by two major modules, i.e., a local structure encoder and a heterogeneous relation encoder, HINormer can capture both the structural and heterogeneous information of nodes on HINs for comprehensive node representations. We conduct extensive experiments on four HIN benchmark datasets, which demonstrate that our proposed model can outperform the state-of-the-art.

Motivated by personalized healthcare and other applications involving sensitive data, we study online exploration in reinforcement learning with differential privacy (DP) constraints. Existing work on this problem established that no-regret learning is possible under joint differential privacy (JDP) and local differential privacy (LDP) but did not provide an algorithm with optimal regret. We close this gap for the JDP case by designing an $\epsilon$-JDP algorithm with a regret of $\widetilde{O}(\sqrt{SAH^2T}+S^2AH^3/\epsilon)$ which matches the information-theoretic lower bound of non-private learning for all choices of $\epsilon> S^{1.5}A^{0.5} H^2/\sqrt{T}$. In the above, $S$, $A$ denote the number of states and actions, $H$ denotes the planning horizon, and $T$ is the number of steps. To the best of our knowledge, this is the first private RL algorithm that achieves \emph{privacy for free} asymptotically as $T\rightarrow \infty$. Our techniques -- which could be of independent interest -- include privately releasing Bernstein-type exploration bonuses and an improved method for releasing visitation statistics. The same techniques also imply a slightly improved regret bound for the LDP case.

Principal Component Analysis (PCA) and its nonlinear extension Kernel PCA (KPCA) are widely used across science and industry for data analysis and dimensionality reduction. Modern deep learning tools have achieved great empirical success, but a framework for deep principal component analysis is still lacking. Here we develop a deep kernel PCA methodology (DKPCA) to extract multiple levels of the most informative components of the data. Our scheme can effectively identify new hierarchical variables, called deep principal components, capturing the main characteristics of high-dimensional data through a simple and interpretable numerical optimization. We couple the principal components of multiple KPCA levels, theoretically showing that DKPCA creates both forward and backward dependency across levels, which has not been explored in kernel methods and yet is crucial to extract more informative features. Various experimental evaluations on multiple data types show that DKPCA finds more efficient and disentangled representations with higher explained variance in fewer principal components, compared to the shallow KPCA. We demonstrate that our method allows for effective hierarchical data exploration, with the ability to separate the key generative factors of the input data both for large datasets and when few training samples are available. Overall, DKPCA can facilitate the extraction of useful patterns from high-dimensional data by learning more informative features organized in different levels, giving diversified aspects to explore the variation factors in the data, while maintaining a simple mathematical formulation.

Humans excel at lifelong learning, as the brain has evolved to be robust to distribution shifts and noise in our ever-changing environment. Deep neural networks (DNNs), however, exhibit catastrophic forgetting and the learned representations drift drastically as they encounter a new task. This alludes to a different error-based learning mechanism in the brain. Unlike DNNs, where learning scales linearly with the magnitude of the error, the sensitivity to errors in the brain decreases as a function of their magnitude. To this end, we propose \textit{ESMER} which employs a principled mechanism to modulate error sensitivity in a dual-memory rehearsal-based system. Concretely, it maintains a memory of past errors and uses it to modify the learning dynamics so that the model learns more from small consistent errors compared to large sudden errors. We also propose \textit{Error-Sensitive Reservoir Sampling} to maintain episodic memory, which leverages the error history to pre-select low-loss samples as candidates for the buffer, which are better suited for retaining information. Empirical results show that ESMER effectively reduces forgetting and abrupt drift in representations at the task boundary by gradually adapting to the new task while consolidating knowledge. Remarkably, it also enables the model to learn under high levels of label noise, which is ubiquitous in real-world data streams.

Multi-Task Learning (MTL) is widely-accepted in Natural Language Processing as a standard technique for learning multiple related tasks in one model. Training an MTL model requires having the training data for all tasks available at the same time. As systems usually evolve over time, (e.g., to support new functionalities), adding a new task to an existing MTL model usually requires retraining the model from scratch on all the tasks and this can be time-consuming and computationally expensive. Moreover, in some scenarios, the data used to train the original training may be no longer available, for example, due to storage or privacy concerns. In this paper, we approach the problem of incrementally expanding MTL models' capability to solve new tasks over time by distilling the knowledge of an already trained model on n tasks into a new one for solving n+1 tasks. To avoid catastrophic forgetting, we propose to exploit unlabeled data from the same distributions of the old tasks. Our experiments on publicly available benchmarks show that such a technique dramatically benefits the distillation by preserving the already acquired knowledge (i.e., preventing up to 20% performance drops on old tasks) while obtaining good performance on the incrementally added tasks. Further, we also show that our approach is beneficial in practical settings by using data from a leading voice assistant.  ( 2 min )

Knowledge distillation (KD) is a general neural network training approach that uses a teacher model to guide the student model. Existing works mainly study KD from the network output side (e.g., trying to design a better KD loss function), while few have attempted to understand it from the input side. Especially, its interplay with data augmentation (DA) has not been well understood. In this paper, we ask: Why do some DA schemes (e.g., CutMix) inherently perform much better than others in KD? What makes a "good" DA in KD? Our investigation from a statistical perspective suggests that a good DA scheme should reduce the covariance of the teacher-student cross-entropy. A practical metric, the stddev of teacher's mean probability (T. stddev), is further presented and well justified empirically. Besides the theoretical understanding, we also introduce a new entropy-based data-mixing DA scheme, CutMixPick, to further enhance CutMix. Extensive empirical studies support our claims and demonstrate how we can harvest considerable performance gains simply by using a better DA scheme in knowledge distillation.

Prediction has recently been considered as a promising approach to meet low-latency and high-reliability requirements in long-distance haptic communications. However, most of the existing methods did not take features of tasks and the relationship between prediction and communication into account. In this paper, we propose a task-oriented prediction and communication co-design framework, where the reliability of the system depends on prediction errors and packet losses in communications. The goal is to minimize the required radio resources subject to the low-latency and high-reliability requirements of various tasks. Specifically, we consider the just noticeable difference (JND) as a performance metric for the haptic communication system. We collect experiment data from a real-world teleoperation testbed and use time-series generative adversarial networks (TimeGAN) to generate a large amount of synthetic data. This allows us to obtain the relationship between the JND threshold, prediction horizon, and the overall reliability including communication reliability and prediction reliability. We take 5G New Radio as an example to demonstrate the proposed framework and optimize bandwidth allocation and data rates of devices. Our numerical and experimental results show that the proposed framework can reduce wireless resource consumption up to 77.80% compared with a task-agnostic benchmark.

Denoising diffusion models have emerged as one of the most powerful generative models in recent years. They have achieved remarkable success in many fields, such as computer vision, natural language processing (NLP), and bioinformatics. Although there are a few excellent reviews on diffusion models and their applications in computer vision and NLP, there is a lack of an overview of their applications in bioinformatics. This review aims to provide a rather thorough overview of the applications of diffusion models in bioinformatics to aid their further development in bioinformatics and computational biology. We start with an introduction of the key concepts and theoretical foundations of three cornerstone diffusion modeling frameworks (denoising diffusion probabilistic models, noise-conditioned scoring networks, and stochastic differential equations), followed by a comprehensive description of diffusion models employed in the different domains of bioinformatics, including cryo-EM data enhancement, single-cell data analysis, protein design and generation, drug and small molecule design, and protein-ligand interaction. The review is concluded with a summary of the potential new development and applications of diffusion models in bioinformatics.  ( 2 min )

Rate-distortion theory-based outlier detection builds upon the rationale that a good data compression will encode outliers with unique symbols. Based on this rationale, we propose Cluster Purging, which is an extension of clustering-based outlier detection. This extension allows one to assess the representivity of clusterings, and to find data that are best represented by individual unique clusters. We propose two efficient algorithms for performing Cluster Purging, one being parameter-free, while the other algorithm has a parameter that controls representivity estimations, allowing it to be tuned in supervised setups. In an experimental evaluation, we show that Cluster Purging improves upon outliers detected from raw clusterings, and that Cluster Purging competes strongly against state-of-the-art alternatives.

Small integration timesteps for a small fraction of short-timescale regions are bottlenecks for high-resolution galaxy simulations using massively parallel computing. This is an urgent issue that needs to be resolved for future higher-resolution galaxy simulations. One possible solution is to use an (approximate) Hamiltonian splitting method, in which only regions requiring small timesteps are integrated with small timesteps, separated from the entire galaxy. In particular, gas affected by supernova (SN) explosions often requires the smallest timestep in such a simulation. To apply the Hamiltonian splitting method to the particles affected by SNe in a smoothed-particle hydrodynamics simulation, we need to identify the regions where such SN-affected particles reside during the subsequent global step (the integration timestep for the entire galaxy) in advance. In this paper, we developed a deep learning model to predict a shell expansion after a SN explosion and an image processing algorithm to identify SN-affected particles in the predicted regions. We found that we can identify more than 95 per cent of the target particles with our method, which is a better identification rate than using an analytic approach with the Sedov-Taylor solution. Combined with the Hamiltonian splitting method, our particle selection method using deep learning will improve the performance of galaxy simulations with extremely high resolution.

Conformal prediction (CP) is a wrapper around traditional machine learning models, giving coverage guarantees under the sole assumption of exchangeability; in classification problems, for a chosen significance level $\varepsilon$, CP guarantees that the error rate is at most $\varepsilon$, irrespective of whether the underlying model is misspecified. However, the prohibitive computational costs of "full" CP led researchers to design scalable alternatives, which alas do not attain the same guarantees or statistical power of full CP. In this paper, we use influence functions to efficiently approximate full CP. We prove that our method is a consistent approximation of full CP, and empirically show that the approximation error becomes smaller as the training set increases; e.g., for $10^{3}$ training points the two methods output p-values that are $<10^{-3}$ apart: a negligible error for any practical application. Our methods enable scaling full CP to large real-world datasets. We compare our full CP approximation (ACP) to mainstream CP alternatives, and observe that our method is computationally competitive whilst enjoying the statistical predictive power of full CP.  ( 2 min )

The Lottery Ticket Hypothesis (LTH) showed that by iteratively training a model, removing connections with the lowest global weight magnitude and rewinding the remaining connections, sparse networks can be extracted. This global comparison removes context information between connections within a layer. Here we study means for recovering some of this layer distributional context and generalise the LTH to consider weight importance values rather than global weight magnitudes. We find that given a repeatable training procedure, applying different importance metrics leads to distinct performant lottery tickets with little overlapping connections. This strongly suggests that lottery tickets are not unique  ( 2 min )

The recently emerged spectral clustering surpasses conventional clustering methods by detecting clusters of any shape without the convexity assumption. Unfortunately, with a computational complexity of $O(n^3)$, it was infeasible for multiple real applications, where $n$ could be large. This stimulates researchers to propose the approximate spectral clustering (ASC). However, most of ASC methods assumed that the number of clusters $k$ was known. In practice, manual setting of $k$ could be subjective or time consuming. The proposed algorithm has two relevance metrics for estimating $k$ in two vital steps of ASC. One for selecting the eigenvectors spanning the embedding space, and the other to discover the number of clusters in that space. The algorithm used a growing neural gas (GNG) approximation, GNG is superior in preserving input data topology. The experimental setup demonstrates the efficiency of the proposed algorithm and its ability to compete with similar methods where $k$ was set manually.

Edges in many real-world social/information networks are associated with rich text information (e.g., user-user communications or user-product reviews). However, mainstream network representation learning models focus on propagating and aggregating node attributes, lacking specific designs to utilize text semantics on edges. While there exist edge-aware graph neural networks, they directly initialize edge attributes as a feature vector, which cannot fully capture the contextualized text semantics of edges. In this paper, we propose Edgeformers, a framework built upon graph-enhanced Transformers, to perform edge and node representation learning by modeling texts on edges in a contextualized way. Specifically, in edge representation learning, we inject network information into each Transformer layer when encoding edge texts; in node representation learning, we aggregate edge representations through an attention mechanism within each node's ego-graph. On five public datasets from three different domains, Edgeformers consistently outperform state-of-the-art baselines in edge classification and link prediction, demonstrating the efficacy in learning edge and node representations, respectively.

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this hierarchy has propelled significant advances in GNN analysis and architecture developments, it suffers from several significant limitations. These include a complex definition that lacks direct guidance for model improvement and a WL hierarchy that is too coarse to study current GNNs. This paper introduces an alternative expressive power hierarchy based on the ability of GNNs to calculate equivariant polynomials of a certain degree. As a first step, we provide a full characterization of all equivariant graph polynomials by introducing a concrete basis, significantly generalizing previous results. Each basis element corresponds to a specific multi-graph, and its computation over some graph data input corresponds to a tensor contraction problem. Second, we propose algorithmic tools for evaluating the expressiveness of GNNs using tensor contraction sequences, and calculate the expressive power of popular GNNs. Finally, we enhance the expressivity of common GNN architectures by adding polynomial features or additional operations / aggregations inspired by our theory. These enhanced GNNs demonstrate state-of-the-art results in experiments across multiple graph learning benchmarks.

In recent years, large-scale models have demonstrated state-of-the-art performance across various domains. However, training such models requires various techniques to address the problem of limited computing power and memory on devices such as GPUs. Some commonly used techniques include pipeline parallelism, tensor parallelism, and activation checkpointing. While existing works have focused on finding efficient distributed execution plans (Zheng et al. 2022) and activation checkpoint scheduling (Herrmann et al. 2019, Beaumont et al. 2021}, there has been no method proposed to optimize these two plans jointly. Moreover, ahead-of-time compilation relies heavily on accurate memory and computing overhead estimation, which is often time-consuming and misleading. Existing training systems and machine learning pipelines either physically execute each operand or estimate memory usage with a scaled input tensor. To address these challenges, we introduce a system that can jointly optimize distributed execution and gradient checkpointing plans. Additionally, we provide an easy-to-use symbolic profiler that generates memory and computing statistics for any PyTorch model with a minimal time cost. Our approach allows users to parallelize their model training on the given hardware with minimum code change based. The source code is publicly available at Colossal-AI GitHub or https://github.com/hpcaitech/ColossalAI

Directed acyclic graphs (DAGs) with hidden variables are often used to characterize causal relations between variables in a system. When some variables are unobserved, DAGs imply a notoriously complicated set of constraints on the distribution of observed variables. In this work, we present entropic inequality constraints that are implied by $e$-separation relations in hidden variable DAGs with discrete observed variables. The constraints can intuitively be understood to follow from the fact that the capacity of variables along a causal pathway to convey information is restricted by their entropy; e.g. at the extreme case, a variable with entropy $0$ can convey no information. We show how these constraints can be used to learn about the true causal model from an observed data distribution. In addition, we propose a measure of causal influence called the minimal mediary entropy, and demonstrate that it can augment traditional measures such as the average causal effect.

Symbolic regression (SR) is the problem of learning a symbolic expression from numerical data. Recently, deep neural models trained on procedurally-generated synthetic datasets showed competitive performance compared to more classical Genetic Programming (GP) algorithms. Unlike their GP counterparts, these neural approaches are trained to generate expressions from datasets given as context. This allows them to produce accurate expressions in a single forward pass at test time. However, they usually do not benefit from search abilities, which result in low performance compared to GP on out-of-distribution datasets. In this paper, we propose a novel method which provides the best of both worlds, based on a Monte-Carlo Tree Search procedure using a context-aware neural mutation model, which is initially pre-trained to learn promising mutations, and further refined from successful experiences in an online fashion. The approach demonstrates state-of-the-art performance on the well-known \texttt{SRBench} benchmark.  ( 2 min )

In this article, we propose a novel pessimism-based Bayesian learning method for optimal dynamic treatment regimes in the offline setting. When the coverage condition does not hold, which is common for offline data, the existing solutions would produce sub-optimal policies. The pessimism principle addresses this issue by discouraging recommendation of actions that are less explored conditioning on the state. However, nearly all pessimism-based methods rely on a key hyper-parameter that quantifies the degree of pessimism, and the performance of the methods can be highly sensitive to the choice of this parameter. We propose to integrate the pessimism principle with Thompson sampling and Bayesian machine learning for optimizing the degree of pessimism. We derive a credible set whose boundary uniformly lower bounds the optimal Q-function, and thus we do not require additional tuning of the degree of pessimism. We develop a general Bayesian learning method that works with a range of models, from Bayesian linear basis model to Bayesian neural network model. We develop the computational algorithm based on variational inference, which is highly efficient and scalable. We establish the theoretical guarantees of the proposed method, and show empirically that it outperforms the existing state-of-the-art solutions through both simulations and a real data example.

It is very difficult to forecast the production rate of oil wells as the output of a single well is sensitive to various uncertain factors, which implicitly or explicitly show the influence of the static, temporal and spatial properties on the oil well production. In this study, a novel machine learning model is constructed to fuse the static geological information, dynamic well production history, and spatial information of the adjacent water injection wells. There are 3 basic modules in this stacking model, which are regarded as the encoders to extract the features from different types of data. One is Multi-Layer Perceptron, which is to analyze the static geological properties of the reservoir that might influence the well production rate. The other two are both LSTMs, which have the input in the form of two matrices rather than vectors, standing for the temporal and the spatial information of the target well. The difference of the two modules is that in the spatial information processing module we take into consideration the time delay of water flooding response, from the injection well to the target well. In addition, we use Symbolic Transfer Entropy to prove the superiorities of the stacking model from the perspective of Causality Discovery. It is proved theoretically and practically that the presented model can make full use of the model structure to integrate the characteristics of the data and the experts' knowledge into the process of machine learning, greatly improving the accuracy and generalization ability of prediction.

Cricket, "a Gentleman's Game", is a prominent sport rising worldwide. Due to the rising competitiveness of the sport, players and team management have become more professional with their approach. Prior studies predicted individual performance or chose the best team but did not highlight the batter's potential. On the other hand, our research aims to evaluate a player's impact while considering his control in various circumstances. This paper seeks to understand the conundrum behind this impactful performance by determining how much control a player has over the circumstances and generating the "Effective Runs",a new measure we propose. We first gathered the fundamental cricket data from open-source datasets; however, variables like pitch, weather, and control were not readily available for all matches. As a result, we compiled our corpus data by analyzing the commentary of the match summaries. This gave us an insight into the particular game's weather and pitch conditions. Furthermore, ball-by-ball inspection from the commentary led us to determine the control of the shots played by the batter. We collected data for the entire One Day International career, up to February 2022, of 3 prominent cricket players: Rohit G Sharma, David A Warner, and Kane S Williamson. Lastly, to prepare the dataset, we encoded, scaled, and split the dataset to train and test Machine Learning Algorithms. We used Multiple Linear Regression (MLR), Polynomial Regression, Support Vector Regression (SVR), Decision Tree Regression, and Random Forest Regression on each player's data individually to train them and predict the Impact the player will have on the game. Multiple Linear Regression and Random Forest give the best predictions accuracy of 90.16 percent and 87.12 percent, respectively.

Machine Learning models face increased concerns regarding the storage of personal user data and adverse impacts of corrupted data like backdoors or systematic bias. Machine Unlearning can address these by allowing post-hoc deletion of affected training data from a learned model. Achieving this task exactly is computationally expensive; consequently, recent works have proposed inexact unlearning algorithms to solve this approximately as well as evaluation methods to test the effectiveness of these algorithms. In this work, we first outline some necessary criteria for evaluation methods and show no existing evaluation satisfies them all. Then, we design a stronger black-box evaluation method called the Interclass Confusion (IC) test which adversarially manipulates data during training to detect the insufficiency of unlearning procedures. We also propose two analytically motivated baseline methods~(EU-k and CF-k) which outperform several popular inexact unlearning methods. Overall, we demonstrate how adversarial evaluation strategies can help in analyzing various unlearning phenomena which can guide the development of stronger unlearning algorithms.

We present a novel AI-assisted method for decomposing (segmenting) planar CAD (computer-aided design) models into well shaped rectangular blocks as a proof-of-principle of a general decomposition method applicable to complex 2D and 3D CAD models. The decomposed blocks are required for generating good quality meshes (tilings of quadrilaterals or hexahedra) suitable for numerical simulations of physical systems governed by conservation laws. The problem of hexahedral mesh generation of general CAD models has vexed researchers for over 3 decades and analysts often spend more than 50% of the design-analysis cycle time decomposing complex models into simpler parts meshable by existing techniques. Our method uses reinforcement learning to train an agent to perform a series of optimal cuts on the CAD model that result in a good quality block decomposition. We show that the agent quickly learns an effective strategy for picking the location and direction of the cuts and maximizing its rewards as opposed to making random cuts. This paper is the first successful demonstration of an agent autonomously learning how to perform this block decomposition task effectively thereby holding the promise of a viable method to automate this challenging process.

Visual speech (i.e., lip motion) is highly related to auditory speech due to the co-occurrence and synchronization in speech production. This paper investigates this correlation and proposes a cross-modal speech co-learning paradigm. The primary motivation of our cross-modal co-learning method is modeling one modality aided by exploiting knowledge from another modality. Specifically, two cross-modal boosters are introduced based on an audio-visual pseudo-siamese structure to learn the modality-transformed correlation. Inside each booster, a max-feature-map embedded Transformer variant is proposed for modality alignment and enhanced feature generation. The network is co-learned both from scratch and with pretrained models. Experimental results on the LRSLip3, GridLip, LomGridLip, and VoxLip datasets demonstrate that our proposed method achieves 60% and 20% average relative performance improvement over independently trained audio-only/visual-only and baseline fusion systems, respectively.

Driving assistance systems that support drivers by adapting individual psychological characteristics can provide appropriate feedback and prevent traffic accidents. As a first step toward implementing such adaptive assistance systems, this research aims to develop a model to estimate drivers' psychological characteristics, such as cognitive function, psychological driving style, and workload sensitivity, from on-road driving behavioral data using machine learning and deep learning techniques. We also investigated the relationship between driving behavior and various cognitive functions including the Trail Making test and Useful Field of View test through regression modeling. The proposed method focuses on road type information and captures various durations of time-series data observed from driving behaviors. First, we segment the driving time-series data into two road types, namely, arterial roads and intersections, to consider driving situations. Second, we further segment data into many sequences of various durations. Third, statistics are calculated from each sequence. Finally, these statistics are used as input features of machine learning models to predict psychological characteristics. The experimental results show that our model can predict a driver's cognitive function, namely, the Trail Making Test version B and Useful Field of View test scores, with Pearson correlation coefficients $r$ of 0.579 and 0.557, respectively. Some characteristics, such as psychological driving style and workload sensitivity, are predicted with high accuracy, but whether various duration segmentation improves accuracy depends on the characteristics, and it is not effective for all characteristics. Additionally, we reveal important sensor and road types for the estimation of cognitive function.

Unsupervised reinforcement learning (URL) poses a promising paradigm to learn useful behaviors in a task-agnostic environment without the guidance of extrinsic rewards to facilitate the fast adaptation of various downstream tasks. Previous works focused on the pre-training in a model-free manner while lacking the study of transition dynamics modeling that leaves a large space for the improvement of sample efficiency in downstream tasks. To this end, we propose an Efficient Unsupervised Reinforcement Learning Framework with Multi-choice Dynamics model (EUCLID), which introduces a novel model-fused paradigm to jointly pre-train the dynamics model and unsupervised exploration policy in the pre-training phase, thus better leveraging the environmental samples and improving the downstream task sampling efficiency. However, constructing a generalizable model which captures the local dynamics under different behaviors remains a challenging problem. We introduce the multi-choice dynamics model that covers different local dynamics under different behaviors concurrently, which uses different heads to learn the state transition under different behaviors during unsupervised pre-training and selects the most appropriate head for prediction in the downstream task. Experimental results in the manipulation and locomotion domains demonstrate that EUCLID achieves state-of-the-art performance with high sample efficiency, basically solving the state-based URLB benchmark and reaching a mean normalized score of 104.0$\pm$1.2$\%$ in downstream tasks with 100k fine-tuning steps, which is equivalent to DDPG's performance at 2M interactive steps with 20x more data.

Artificial neural networks are promising for general function approximation but challenging to train on non-independent or non-identically distributed data due to catastrophic forgetting. The experience replay buffer, a standard component in deep reinforcement learning, is often used to reduce forgetting and improve sample efficiency by storing experiences in a large buffer and using them for training later. However, a large replay buffer results in a heavy memory burden, especially for onboard and edge devices with limited memory capacities. We propose memory-efficient reinforcement learning algorithms based on the deep Q-network algorithm to alleviate this problem. Our algorithms reduce forgetting and maintain high sample efficiency by consolidating knowledge from the target Q-network to the current Q-network. Compared to baseline methods, our algorithms achieve comparable or better performance in both feature-based and image-based tasks while easing the burden of large experience replay buffers.

This paper proposes singing voice synthesis (SVS) based on frame-level sequence-to-sequence models considering vocal timing deviation. In SVS, it is essential to synchronize the timing of singing with temporal structures represented by scores, taking into account that there are differences between actual vocal timing and note start timing. In many SVS systems including our previous work, phoneme-level score features are converted into frame-level ones on the basis of phoneme boundaries obtained by external aligners to take into account vocal timing deviations. Therefore, the sound quality is affected by the aligner accuracy in this system. To alleviate this problem, we introduce an attention mechanism with frame-level features. In the proposed system, the attention mechanism absorbs alignment errors in phoneme boundaries. Additionally, we evaluate the system with pseudo-phoneme-boundaries defined by heuristic rules based on musical scores when there is no aligner. The experimental results show the effectiveness of the proposed system.

The imbalance problem is widespread in the field of machine learning, which also exists in multimodal learning areas caused by the intrinsic discrepancy between modalities of samples. Recent works have attempted to solve the modality imbalance problem from algorithm perspective, however, they do not fully analyze the influence of modality bias in datasets. Concretely, existing multimodal datasets are usually collected under specific tasks, where one modality tends to perform better than other ones in most conditions. In this work, to comprehensively explore the influence of modality bias, we first split existing datasets into different subsets by estimating sample-wise modality discrepancy. We surprisingly find that: the multimodal models with existing imbalance algorithms consistently perform worse than the unimodal one on specific subsets, in accordance with the modality bias. To further explore the influence of modality bias and analyze the effectiveness of existing imbalance algorithms, we build a balanced audiovisual dataset, with uniformly distributed modality discrepancy over the whole dataset. We then conduct extensive experiments to re-evaluate existing imbalance algorithms and draw some interesting findings: existing algorithms only provide a compromise between modalities and suffer from the large modality discrepancy of samples. We hope that these findings could facilitate future research on the modality imbalance problem.

We investigate the explainability of graph neural networks (GNNs) as a step towards elucidating their working mechanisms. While most current methods focus on explaining graph nodes, edges, or features, we argue that, as the inherent functional mechanism of GNNs, message flows are more natural for performing explainability. To this end, we propose a novel method here, known as FlowX, to explain GNNs by identifying important message flows. To quantify the importance of flows, we propose to follow the philosophy of Shapley values from cooperative game theory. To tackle the complexity of computing all coalitions' marginal contributions, we propose an approximation scheme to compute Shapley-like values as initial assessments of further redistribution training. We then propose a learning algorithm to train flow scores and improve explainability. Experimental studies on both synthetic and real-world datasets demonstrate that our proposed FlowX leads to improved explainability of GNNs. The code is available at https://github.com/divelab/DIG.

In many data-driven applications, collecting data from different sources is increasingly desirable for enhancing performance. In this paper, we are interested in the problem of probabilistic forecasting with multi-source time series. We propose a neural mixture structure-based probability model for learning different predictive relations and their adaptive combinations from multi-source time series. We present the prediction and uncertainty quantification methods that apply to different distributions of target variables. Additionally, given the imbalanced and unstable behaviors observed during the direct training of the proposed mixture model, we develop a phased learning method and provide a theoretical analysis. In experimental evaluations, the mixture model trained by the phased learning exhibits competitive performance on both point and probabilistic prediction metrics. Meanwhile, the proposed uncertainty conditioned error suggests the potential of the mixture model's uncertainty score as a reliability indicator of predictions.  ( 2 min )

A recourse action aims to explain a particular algorithmic decision by showing one specific way in which the instance could be modified to receive an alternate outcome. Existing recourse generation methods often assume that the machine learning model does not change over time. However, this assumption does not always hold in practice because of data distribution shifts, and in this case, the recourse action may become invalid. To redress this shortcoming, we propose the Distributionally Robust Recourse Action (DiRRAc) framework, which generates a recourse action that has a high probability of being valid under a mixture of model shifts. We formulate the robustified recourse setup as a min-max optimization problem, where the max problem is specified by Gelbrich distance over an ambiguity set around the distribution of model parameters. Then we suggest a projected gradient descent algorithm to find a robust recourse according to the min-max objective. We show that our DiRRAc framework can be extended to hedge against the misspecification of the mixture weights. Numerical experiments with both synthetic and three real-world datasets demonstrate the benefits of our proposed framework over state-of-the-art recourse methods.

Stock market plays an important role in the economic development. Due to the complex volatility of the stock market, the research and prediction on the change of the stock price, can avoid the risk for the investors. The traditional time series model ARIMA can not describe the nonlinearity, and can not achieve satisfactory results in the stock prediction. As neural networks are with strong nonlinear generalization ability, this paper proposes an attention-based CNN-LSTM and XGBoost hybrid model to predict the stock price. The model constructed in this paper integrates the time series model, the Convolutional Neural Networks with Attention mechanism, the Long Short-Term Memory network, and XGBoost regressor in a non-linear relationship, and improves the prediction accuracy. The model can fully mine the historical information of the stock market in multiple periods. The stock data is first preprocessed through ARIMA. Then, the deep learning architecture formed in pretraining-finetuning framework is adopted. The pre-training model is the Attention-based CNN-LSTM model based on sequence-to-sequence framework. The model first uses convolution to extract the deep features of the original stock data, and then uses the Long Short-Term Memory networks to mine the long-term time series features. Finally, the XGBoost model is adopted for fine-tuning. The results show that the hybrid model is more effective and the prediction accuracy is relatively high, which can help investors or institutions to make decisions and achieve the purpose of expanding return and avoiding risk. Source code is available at https://github.com/zshicode/Attention-CLX-stock-prediction.  ( 2 min )

Under mild conditions on the network initialization we derive a power series expansion for the Neural Tangent Kernel (NTK) of arbitrarily deep feedforward networks in the infinite width limit. We provide expressions for the coefficients of this power series which depend on both the Hermite coefficients of the activation function as well as the depth of the network. We observe faster decay of the Hermite coefficients leads to faster decay in the NTK coefficients and explore the role of depth. Using this series, first we relate the effective rank of the NTK to the effective rank of the input-data Gram. Second, for data drawn uniformly on the sphere we study the eigenvalues of the NTK, analyzing the impact of the choice of activation function. Finally, for generic data and activation functions with sufficiently fast Hermite coefficient decay, we derive an asymptotic upper bound on the spectrum of the NTK.

In the medical field, multi-center collaborations are often sought to yield more generalizable findings by leveraging the heterogeneity of patient and clinical data. However, recent privacy regulations hinder the possibility to share data, and consequently, to come up with machine learning-based solutions that support diagnosis and prognosis. Federated learning (FL) aims at sidestepping this limitation by bringing AI-based solutions to data owners and only sharing local AI models, or parts thereof, that need then to be aggregated. However, most of the existing federated learning solutions are still at their infancy and show several shortcomings, from the lack of a reliable and effective aggregation scheme able to retain the knowledge learned locally to weak privacy preservation as real data may be reconstructed from model updates. Furthermore, the majority of these approaches, especially those dealing with medical data, relies on a centralized distributed learning strategy that poses robustness, scalability and trust issues. In this paper we present a federated and decentralized learning strategy, FedER, that, exploiting experience replay and generative adversarial concepts, effectively integrates features from local nodes, providing models able to generalize across multiple datasets while maintaining privacy. FedER is tested on two tasks -- tuberculosis and melanoma classification -- using multiple datasets in order to simulate realistic non-i.i.d. medical data scenarios. Results show that our approach achieves performance comparable to standard (non-federated) learning and significantly outperforms state-of-the-art federated methods in their centralized (thus, more favourable) formulation. Code is available at https://github.com/perceivelab/FedER

We present the E-UC$^3$RL algorithm for regret minimization in Stochastic Contextual Markov Decision Processes (CMDPs). The algorithm operates under the minimal assumptions of realizable function class and access to \emph{offline} least squares and log loss regression oracles. Our algorithm is efficient (assuming efficient offline regression oracles) and enjoys a regret guarantee of $ \widetilde{O}(H^3 \sqrt{T |S| |A|d_{\mathrm{E}}(\mathcal{P}) \log (|\mathcal{F}| |\mathcal{P}|/ \delta) )}) , $ with $T$ being the number of episodes, $S$ the state space, $A$ the action space, $H$ the horizon, $\mathcal{P}$ and $\mathcal{F}$ are finite function classes used to approximate the context-dependent dynamics and rewards, respectively, and $d_{\mathrm{E}}(\mathcal{P})$ is the Eluder dimension of $\mathcal{P}$ w.r.t the Hellinger distance. To the best of our knowledge, our algorithm is the first efficient and rate-optimal regret minimization algorithm for CMDPs that operates under the general offline function approximation setting. In addition, we extend the Eluder dimension to general bounded metrics which may be of separate interest.

Scaled dot-product attention applies a softmax function on the scaled dot-product of queries and keys to calculate weights and then multiplies the weights and values. In this work, we study how to improve the learning of scaled dot-product attention to improve the accuracy of DETR. Our method is based on the following observations: using ground truth foreground-background mask (GT Fg-Bg Mask) as additional cues in the weights/values learning enables learning much better weights/values; with better weights/values, better values/weights can be learned. We propose a triple-attention module in which the first attention is a plain scaled dot-product attention, the second/third attention generates high-quality weights/values (with the assistance of GT Fg-Bg Mask) and shares the values/weights with the first attention to improve the quality of values/weights. The second and third attentions are removed during inference. We call our method knowledge-sharing DETR (KS-DETR), which is an extension of knowledge distillation (KD) in the way that the improved weights and values of the teachers (the second and third attentions) are directly shared, instead of mimicked, by the student (the first attention) to enable more efficient knowledge transfer from the teachers to the student. Experiments on various DETR-like methods show consistent improvements over the baseline methods on the MS COCO benchmark. Code is available at https://github.com/edocanonymous/KS-DETR.  ( 2 min )

In-context learning (ICL) is a powerful paradigm emerged from large language models (LLMs). Despite its promises, ICL performance is known to be highly sensitive to input examples. In this work, we use in-context influences to analyze few-shot ICL performance directly from the in-context examples. Our proposed influence-based example selection method outperforms most baselines when evaluated on 10 SuperGlue tasks and stably scales with increasing k-shot. The analysis finds up to a 22.2% performance gap between the most positively and negatively influential examples. In a case study, we apply our influence-based framework to quantify the phenomena of recency bias in example ordering for few-shot ICL.  ( 2 min )

Given a matrix $M\in \mathbb{R}^{m\times n}$, the low rank matrix completion problem asks us to find a rank-$k$ approximation of $M$ as $UV^\top$ for $U\in \mathbb{R}^{m\times k}$ and $V\in \mathbb{R}^{n\times k}$ by only observing a few entries masked by a binary matrix $P_{\Omega}\in \{0, 1 \}^{m\times n}$. As a particular instance of the weighted low rank approximation problem, solving low rank matrix completion is known to be computationally hard even to find an approximate solution [RSW16]. However, due to its practical importance, many heuristics have been proposed for this problem. In the seminal work of Jain, Netrapalli, and Sanghavi [JNS13], they show that the alternating minimization framework provides provable guarantees for low rank matrix completion problem whenever $M$ admits an incoherent low rank factorization. Unfortunately, their algorithm requires solving two exact multiple response regressions per iteration and their analysis is non-robust as they exploit the structure of the exact solution. In this paper, we take a major step towards a more efficient and robust alternating minimization framework for low rank matrix completion. Our main result is a robust alternating minimization algorithm that can tolerate moderate errors even though the regressions are solved approximately. Consequently, we also significantly improve the running time of [JNS13] from $\widetilde{O}(mnk^2 )$ to $\widetilde{O}(mnk )$ which is nearly linear in the problem size, as verifying the low rank approximation takes $O(mnk)$ time. Our core algorithmic building block is a high accuracy regression solver that solves the regression in nearly linear time per iteration.

We study differentially private distributed optimization under communication constraints. A server using SGD for optimization aggregates the client-side local gradients for model updates using distributed mean estimation (DME). We develop a communication-efficient private DME, using the recently developed multi-message shuffled (MMS) privacy framework. We analyze our proposed DME scheme to show that it achieves the order-optimal privacy-communication-performance tradeoff resolving an open question in [1], whether the shuffled models can improve the tradeoff obtained in Secure Aggregation. This also resolves an open question on the optimal trade-off for private vector sum in the MMS model. We achieve it through a novel privacy mechanism that non-uniformly allocates privacy at different resolutions of the local gradient vectors. These results are directly applied to give guarantees on private distributed learning algorithms using this for private gradient aggregation iteratively. We also numerically evaluate the private DME algorithms.

Since their introduction, diffusion models have quickly become the prevailing approach to generative modeling in many domains. They can be interpreted as learning the gradients of a time-varying sequence of log-probability density functions. This interpretation has motivated classifier-based and classifier-free guidance as methods for post-hoc control of diffusion models. In this work, we build upon these ideas using the score-based interpretation of diffusion models, and explore alternative ways to condition, modify, and reuse diffusion models for tasks involving compositional generation and guidance. In particular, we investigate why certain types of composition fail using current techniques and present a number of solutions. We conclude that the sampler (not the model) is responsible for this failure and propose new samplers, inspired by MCMC, which enable successful compositional generation. Further, we propose an energy-based parameterization of diffusion models which enables the use of new compositional operators and more sophisticated, Metropolis-corrected samplers. Intriguingly we find these samplers lead to notable improvements in compositional generation across a wide set of problems such as classifier-guided ImageNet modeling and compositional text-to-image generation.  ( 2 min )

Crash sequence analysis has been shown in prior studies to be useful for characterizing crashes and identifying safety countermeasures. Sequence analysis is highly domain-specific, but its various techniques have not been evaluated for adaptation to crash sequences. This paper evaluates the impact of encoding and dissimilarity measures on crash sequence analysis and clustering. Sequence data of interstate highway, single-vehicle crashes in the United States, from 2016-2018, were studied. Two encoding schemes and five optimal matching based dissimilarity measures were compared by evaluating the sequence clustering results. The five dissimilarity measures were categorized into two groups based on correlations between dissimilarity matrices. The optimal dissimilarity measure and encoding scheme were identified based on the agreements with a benchmark crash categorization. The transition-rate-based, localized optimal matching dissimilarity and consolidated encoding scheme had the highest agreement with the benchmark. Evaluation results indicate that the selection of dissimilarity measure and encoding scheme determines the results of sequence clustering and crash characterization. A dissimilarity measure that considers the relationships between events and domain context tends to perform well in crash sequence clustering. An encoding scheme that consolidates similar events naturally takes domain context into consideration.

Recent studies in neural network-based monaural speech separation (SS) have achieved a remarkable success thanks to increasing ability of long sequence modeling. However, they would degrade significantly when put under realistic noisy conditions, as the background noise could be mistaken for speaker's speech and thus interfere with the separated sources. To alleviate this problem, we propose a novel network to unify speech enhancement and separation with gradient modulation to improve noise-robustness. Specifically, we first build a unified network by combining speech enhancement (SE) and separation modules, with multi-task learning for optimization, where SE is supervised by parallel clean mixture to reduce noise for downstream speech separation. Furthermore, in order to avoid suppressing valid speaker information when reducing noise, we propose a gradient modulation (GM) strategy to harmonize the SE and SS tasks from optimization view. Experimental results show that our approach achieves the state-of-the-art on large-scale Libri2Mix- and Libri3Mix-noisy datasets, with SI-SNRi results of 16.0 dB and 15.8 dB respectively. Our code is available at GitHub.

This paper focuses on representation learning for dynamic graphs with temporal interactions. A fundamental issue is that both the graph structure and the nodes own their own dynamics, and their blending induces intractable complexity in the temporal evolution over graphs. Drawing inspiration from the recent process of physical dynamic models in deep neural networks, we propose Graph Neural Controlled Differential Equation (GN-CDE) model, a generic differential model for dynamic graphs that characterise the continuously dynamic evolution of node embedding trajectories with a neural network parameterised vector field and the derivatives of interactions w.r.t. time. Our framework exhibits several desirable characteristics, including the ability to express dynamics on evolving graphs without integration by segments, the capability to calibrate trajectories with subsequent data, and robustness to missing observations. Empirical evaluation on a range of dynamic graph representation learning tasks demonstrates the superiority of our proposed approach compared to the baselines.

Recent advances in robot learning have shown promise in enabling robots to perform a variety of manipulation tasks and generalize to novel scenarios. One of the key contributing factors to this progress is the scale of robot data used to train the models. To obtain large-scale datasets, prior approaches have relied on either demonstrations requiring high human involvement or engineering-heavy autonomous data collection schemes, both of which are challenging to scale. To mitigate this issue, we propose an alternative route and leverage text-to-image foundation models widely used in computer vision and natural language processing to obtain meaningful data for robot learning without requiring additional robot data. We term our method Robot Learning with Semantically Imagened Experience (ROSIE). Specifically, we make use of the state of the art text-to-image diffusion models and perform aggressive data augmentation on top of our existing robotic manipulation datasets via inpainting various unseen objects for manipulation, backgrounds, and distractors with text guidance. Through extensive real-world experiments, we show that manipulation policies trained on data augmented this way are able to solve completely unseen tasks with new objects and can behave more robustly w.r.t. novel distractors. In addition, we find that we can improve the robustness and generalization of high-level robot learning tasks such as success detection through training with the diffusion-based data augmentation. The project's website and videos can be found at diffusion-rosie.github.io

The rise of graph representation learning as the primary solution for many different network science tasks led to a surge of interest in the fairness of this family of methods. Link prediction, in particular, has a substantial social impact. However, link prediction algorithms tend to increase the segregation in social networks by disfavoring the links between individuals in specific demographic groups. This paper proposes a novel way to enforce fairness on graph neural networks with a fine-tuning strategy. We Drop the unfair Edges and, simultaneously, we Adapt the model's parameters to those modifications, DEA in short. We introduce two covariance-based constraints designed explicitly for the link prediction task. We use these constraints to guide the optimization process responsible for learning the new "fair" adjacency matrix. One novelty of DEA is that we can use a discrete yet learnable adjacency matrix in our fine-tuning. We demonstrate the effectiveness of our approach on five real-world datasets and show that we can improve both the accuracy and the fairness of the link prediction tasks. In addition, we present an in-depth ablation study demonstrating that our training algorithm for the adjacency matrix can be used to improve link prediction performances during training. Finally, we compute the relevance of each component of our framework to show that the combination of both the constraints and the training of the adjacency matrix leads to optimal performances.

Deep learning provides an excellent avenue for optimizing diagnosis and patient monitoring for clinical-based applications, which can critically enhance the response time to the onset of various conditions. For cardiovascular disease, one such condition where the rising number of patients increasingly outweighs the availability of medical resources in different parts of the world, a core challenge is the automated classification of various cardiac abnormalities. Existing deep learning approaches have largely been limited to detecting the existence of an irregularity, as in binary classification, which has been achieved using networks such as CNNs and RNN/LSTMs. The next step is to accurately perform multi-class classification and determine the specific condition(s) from the inherently noisy multi-variate waveform, which is a difficult task that could benefit from (1) a more powerful sequential network, and (2) the integration of clinical notes, which provide valuable semantic and clinical context from human doctors. Recently, Transformers have emerged as the state-of-the-art architecture for forecasting and prediction using time-series data, with their multi-headed attention mechanism, and ability to process whole sequences and learn both long and short-range dependencies. The proposed novel multi-modal Transformer architecture would be able to accurately perform this task while demonstrating the cross-domain effectiveness of Transformers, establishing a method for incorporating multiple data modalities within a Transformer for classification tasks, and laying the groundwork for automating real-time patient condition monitoring in clinical and ER settings.  ( 2 min )

This paper considers the problem of real-time control and learning in dynamic systems subjected to parametric uncertainties. A combination of Adaptive Control (AC) in the inner loop and a Reinforcement Learning (RL) based policy in the outer loop is proposed such that in real-time the inner-loop AC contracts the closed-loop dynamics towards a reference system, and as the contraction takes hold, the RL in the outerloop directs the overall system towards optimal performance. Two classes of nonlinear dynamic systems are considered, both of which are control-affine. The first class of dynamic systems utilizes equilibrium points with expansion forms around these points and employs a Lyapunov approach while second class of nonlinear systems uses contraction theory. AC-RL controllers are proposed for both classes of systems and shown to lead to online policies that guarantee stability using a high-order tuner and accommodate parametric uncertainties and magnitude limits on the input. In addition to establishing a stability guarantee with real-time control, the AC-RL controller is also shown to lead to parameter learning with persistent excitation for the first class of systems. Numerical validations of all algorithms are carried out using a quadrotor landing task on a moving platform. These results point out the clear advantage of the proposed integrative AC-RL approach.  ( 2 min )

Large-scale finite element simulations of complex physical systems governed by partial differential equations (PDE) crucially depend on adaptive mesh refinement (AMR) to allocate computational budget to regions where higher resolution is required. Existing scalable AMR methods make heuristic refinement decisions based on instantaneous error estimation and thus do not aim for long-term optimality over an entire simulation. We propose a novel formulation of AMR as a Markov decision process and apply deep reinforcement learning (RL) to train refinement policies directly from simulation. AMR poses a new problem for RL as both the state dimension and available action set changes at every step, which we solve by proposing new policy architectures with differing generality and inductive bias. The model sizes of these policy architectures are independent of the mesh size and hence can be deployed on larger simulations than those used at train time. We demonstrate in comprehensive experiments on static function estimation and time-dependent equations that RL policies can be trained on problems without using ground truth solutions, are competitive with a widely-used error estimator, and generalize to larger, more complex, and unseen test problems.  ( 2 min )

Intelligent systems deployed in the real world suffer from catastrophic forgetting when exposed to a sequence of tasks. Humans, on the other hand, acquire, consolidate, and transfer knowledge between tasks that rarely interfere with the consolidated knowledge. Accompanied by self-regulated neurogenesis, continual learning in the brain is governed by a rich set of neurophysiological processes that harbor different types of knowledge, which are then integrated by conscious processing. Thus, inspired by the Global Workspace Theory of conscious information access in the brain, we propose TAMiL, a continual learning method that entails task-attention modules to capture task-specific information from the common representation space. We employ simple, undercomplete autoencoders to create a communication bottleneck between the common representation space and the global workspace, allowing only the task-relevant information to the global workspace, thus greatly reducing task interference. Experimental results show that our method outperforms state-of-the-art rehearsal-based and dynamic sparse approaches and bridges the gap between fixed capacity and parameter isolation approaches while being scalable. We also show that our method effectively mitigates catastrophic forgetting while being well-calibrated with reduced task-recency bias.

Data-centric AI has shed light on the significance of data within the machine learning (ML) pipeline. Recognizing its significance, academia, industry, and government departments have suggested various NLP data research initiatives. While the ability to utilize existing data is essential, the ability to build a dataset has become more critical than ever, especially in the industry. In consideration of this trend, we propose a "Data Management Operations and Recipes" to guide the industry in optimizing the building of datasets for NLP products. This paper presents the concept of DMOps which is derived from real-world experiences with NLP data management and aims to streamline data operations by offering a baseline.

Diffusion Schr\"odinger bridges (DSB) have recently emerged as a powerful framework for recovering stochastic dynamics via their marginal observations at different time points. Despite numerous successful applications, existing algorithms for solving DSBs have so far failed to utilize the structure of aligned data, which naturally arises in many biological phenomena. In this paper, we propose a novel algorithmic framework that, for the first time, solves DSBs while respecting the data alignment. Our approach hinges on a combination of two decades-old ideas: The classical Schr\"odinger bridge theory and Doob's $h$-transform. Compared to prior methods, our approach leads to a simpler training procedure with lower variance, which we further augment with principled regularization schemes. This ultimately leads to sizeable improvements across experiments on synthetic and real data, including the tasks of rigid protein docking and temporal evolution of cellular differentiation processes.

Generative Artificial Intelligence (AI) models such as OpenAI's ChatGPT have the potential to revolutionize Statistical Process Control (SPC) practice, learning, and research. However, these tools are in the early stages of development and can be easily misused or misunderstood. In this paper, we give an overview of the development of Generative AI. Specifically, we explore ChatGPT's ability to provide code, explain basic concepts, and create knowledge related to SPC practice, learning, and research. By investigating responses to structured prompts, we highlight the benefits and limitations of the results. Our study indicates that the current version of ChatGPT performs well for structured tasks, such as translating code from one language to another and explaining well-known concepts but struggles with more nuanced tasks, such as explaining less widely known terms and creating code from scratch. We find that using new AI tools may help practitioners, educators, and researchers to be more efficient and productive. However, in their current stages of development, some results are misleading and wrong. Overall, the use of generative AI models in SPC must be properly validated and used in conjunction with other methods to ensure accurate results.

There has been a surge in Explainable-AI (XAI) methods that provide insights into the workings of Deep Neural Network (DNN) models. Integrated Gradients (IG) is a popular XAI algorithm that attributes relevance scores to input features commensurate with their contribution to the model's output. However, it requires multiple forward \& backward passes through the model. Thus, compared to a single forward-pass inference, there is a significant computational overhead to generate the explanation which hinders real-time XAI. This work addresses the aforementioned issue by accelerating IG with a hardware-aware algorithm optimization. We propose a novel non-uniform interpolation scheme to compute the IG attribution scores which replaces the baseline uniform interpolation. Our algorithm significantly reduces the total interpolation steps required without adversely impacting convergence. Experiments on the ImageNet dataset using a pre-trained InceptionV3 model demonstrate \textit{2.6-3.6}$\times$ performance speedup on GPU systems for iso-convergence. This includes the minimal \textit{0.2-3.2}\% latency overhead introduced by the pre-processing stage of computing the non-uniform interpolation step-sizes.  ( 2 min )

Bayesian deep learning approaches that allow uncertainty estimation for regression problems often converge slowly and yield poorly calibrated uncertainty estimates that can not be effectively used for quantification. Recently proposed post hoc calibration techniques are seldom applicable to regression problems and often add overhead to an already slow model training phase. This work presents a fast calibrated uncertainty estimation method for regression tasks, called posterior annealing, that consistently improves the convergence of deep regression models and yields calibrated uncertainty without any post hoc calibration phase. Unlike previous methods for calibrated uncertainty in regression that focus only on low-dimensional regression problems, our method works well on a wide spectrum of regression problems. Our empirical analysis shows that our approach is generalizable to various network architectures including, multilayer perceptrons, 1D/2D convolutional networks, and graph neural networks, on five vastly diverse tasks, i.e., chaotic particle trajectory denoising, physical property prediction of molecules using 3D atomistic representation, natural image super-resolution, and medical image translation using MRI images.

We investigate the time complexity of SGD learning on fully-connected neural networks with isotropic data. We put forward a complexity measure -- the leap -- which measures how "hierarchical" target functions are. For $d$-dimensional uniform Boolean or isotropic Gaussian data, our main conjecture states that the time complexity to learn a function $f$ with low-dimensional support is $\tilde\Theta (d^{\max(\mathrm{Leap}(f),2)})$. We prove a version of this conjecture for a class of functions on Gaussian isotropic data and 2-layer neural networks, under additional technical assumptions on how SGD is run. We show that the training sequentially learns the function support with a saddle-to-saddle dynamic. Our result departs from [Abbe et al. 2022] by going beyond leap 1 (merged-staircase functions), and by going beyond the mean-field and gradient flow approximations that prohibit the full complexity control obtained here. Finally, we note that this gives an SGD complexity for the full training trajectory that matches that of Correlational Statistical Query (CSQ) lower-bounds.

Approximate spectral clustering (ASC) was developed to overcome heavy computational demands of spectral clustering (SC). It maintains SC ability in predicting non-convex clusters. Since it involves a preprocessing step, ASC defines new similarity measures to assign weights on graph edges. Connectivity matrix (CONN) is an efficient similarity measure to construct graphs for ASC. It defines the weight between two vertices as the number of points assigned to them during vector quantization training. However, this relationship is undirected, where it is not clear which of the vertices is contributing more to that edge. Also, CONN could be tricked by noisy density between clusters. We defined a directed version of CONN, named DCONN, to get insights on vertices contributions to edges. Also, we provided filtering schemes to ensure CONN edges are highlighting potential clusters. Experiments reveal that the proposed filtering was highly efficient when noise cannot be tolerated by CONN.

Recent advances in multi and many-core processors have led to significant improvements in the performance of scientific computing applications. However, the addition of a large number of complex cores have also increased the overall power consumption, and power has become a first-order design constraint in modern processors. While we can limit power consumption by simply applying software-based power constraints, applying them blindly will lead to non-trivial performance degradation. To address the challenge of improving the performance, power, and energy efficiency of scientific applications on modern multi-core processors, we propose a novel Graph Neural Network based auto-tuning approach that (i) optimizes runtime performance at pre-defined power constraints, and (ii) simultaneously optimizes for runtime performance and energy efficiency by minimizing the energy-delay product. The key idea behind this approach lies in modeling parallel code regions as flow-aware code graphs to capture both semantic and structural code features. We demonstrate the efficacy of our approach by conducting an extensive evaluation on $30$ benchmarks and proxy-/mini-applications with $68$ OpenMP code regions. Our approach identifies OpenMP configurations at different power constraints that yield a geometric mean performance improvement of more than $25\%$ and $13\%$ over the default OpenMP configuration on a 32-core Skylake and a $16$-core Haswell processor respectively. In addition, when we optimize for the energy-delay product, the OpenMP configurations selected by our auto-tuner demonstrate both performance improvement of $21\%$ and $11\%$ and energy reduction of $29\%$ and $18\%$ over the default OpenMP configuration at Thermal Design Power for the same Skylake and Haswell processors, respectively.

Learning with imbalanced data is a challenging problem in deep learning. Over-sampling is a widely used technique to re-balance the sampling distribution of training data. However, most existing over-sampling methods only use intra-class information of minority classes to augment the data but ignore the inter-class relationships with the majority ones, which is prone to overfitting, especially when the imbalance ratio is large. To address this issue, we propose a novel over-sampling model, called Majority-Guided VAE~(MGVAE), which generates new minority samples under the guidance of a majority-based prior. In this way, the newly generated minority samples can inherit the diversity and richness of the majority ones, thus mitigating overfitting in downstream tasks. Furthermore, to prevent model collapse under limited data, we first pre-train MGVAE on sufficient majority samples and then fine-tune based on minority samples with Elastic Weight Consolidation(EWC) regularization. Experimental results on benchmark image datasets and real-world tabular data show that MGVAE achieves competitive improvements over other over-sampling methods in downstream classification tasks, demonstrating the effectiveness of our method.

Knowledge distillation is a common technique for improving the performance of a shallow student network by transferring information from a teacher network, which in general, is comparatively large and deep. These teacher networks are pre-trained and often uncalibrated, as no calibration technique is applied to the teacher model while training. Calibration of a network measures the probability of correctness for any of its predictions, which is critical in high-risk domains. In this paper, we study how to obtain a calibrated student from an uncalibrated teacher. Our approach relies on the fusion of the data-augmentation techniques, including but not limited to cutout, mixup, and CutMix, with knowledge distillation. We extend our approach beyond traditional knowledge distillation and find it suitable for Relational Knowledge Distillation and Contrastive Representation Distillation as well. The novelty of the work is that it provides a framework to distill a calibrated student from an uncalibrated teacher model without compromising the accuracy of the distilled student. We perform extensive experiments to validate our approach on various datasets, including CIFAR-10, CIFAR-100, CINIC-10 and TinyImageNet, and obtained calibrated student models. We also observe robust performance of our approach while evaluating it on corrupted CIFAR-100C data.

Variational autoencoder (VAE) estimates the posterior parameters (mean and variance) of latent variables corresponding to each input data. While it is used for many tasks, the transparency of the model is still an underlying issue. This paper provides a quantitative understanding of VAE property through the differential geometric and information-theoretic interpretations of VAE. According to the Rate-distortion theory, the optimal transform coding is achieved by using an orthonormal transform with PCA basis where the transform space is isometric to the input. Considering the analogy of transform coding to VAE, we clarify theoretically and experimentally that VAE can be mapped to an implicit isometric embedding with a scale factor derived from the posterior parameter. As a result, we can estimate the data probabilities in the input space from the prior, loss metrics, and corresponding posterior parameters, and further, the quantitative importance of each latent variable can be evaluated like the eigenvalue of PCA.  ( 2 min )

Parameter management is essential for distributed training of large machine learning (ML) tasks. Some ML tasks are hard to distribute because common approaches to parameter management can be highly inefficient. Advanced parameter management approaches -- such as selective replication or dynamic parameter allocation -- can improve efficiency, but to do so, they typically need to be integrated manually into each task's implementation and they require expensive upfront experimentation to tune correctly. In this work, we explore whether these two problems can be avoided. We first propose a novel intent signaling mechanism that integrates naturally into existing ML stacks and provides the parameter manager with crucial information about parameter accesses. We then describe AdaPM, a fully adaptive, zero-tuning parameter manager based on this mechanism. In contrast to prior systems, this approach separates providing information (simple, done by the task) from exploiting it effectively (hard, done automatically by AdaPM). In our experimental evaluation, AdaPM matched or outperformed state-of-the-art parameter managers out of the box, suggesting that automatic parameter management is possible.

Recent work in scientific machine learning (SciML) has focused on incorporating partial differential equation (PDE) information into the learning process. Much of this work has focused on relatively ``easy'' PDE operators (e.g., elliptic and parabolic), with less emphasis on relatively ``hard'' PDE operators (e.g., hyperbolic). Within numerical PDEs, the latter problem class requires control of a type of volume element or conservation constraint, which is known to be challenging. Delivering on the promise of SciML requires seamlessly incorporating both types of problems into the learning process. To address this issue, we propose ProbConserv, a framework for incorporating conservation constraints into a generic SciML architecture. To do so, ProbConserv combines the integral form of a conservation law with a Bayesian update. We provide a detailed analysis of ProbConserv on learning with the Generalized Porous Medium Equation (GPME), a widely-applicable parameterized family of PDEs that illustrates the qualitative properties of both easier and harder PDEs. ProbConserv is effective for easy GPME variants, performing well with state-of-the-art competitors; and for harder GPME variants it outperforms other approaches that do not guarantee volume conservation. ProbConserv seamlessly enforces physical conservation constraints, maintains probabilistic uncertainty quantification (UQ), and deals well with shocks and heteroscedasticities. In each case, it achieves superior predictive performance on downstream tasks.

Learning to optimize (L2O) has gained increasing popularity, which automates the design of optimizers by data-driven approaches. However, current L2O methods often suffer from poor generalization performance in at least two folds: (i) applying the L2O-learned optimizer to unseen optimizees, in terms of lowering their loss function values (optimizer generalization, or ``generalizable learning of optimizers"); and (ii) the test performance of an optimizee (itself as a machine learning model), trained by the optimizer, in terms of the accuracy over unseen data (optimizee generalization, or ``learning to generalize"). While the optimizer generalization has been recently studied, the optimizee generalization (or learning to generalize) has not been rigorously studied in the L2O context, which is the aim of this paper. We first theoretically establish an implicit connection between the local entropy and the Hessian, and hence unify their roles in the handcrafted design of generalizable optimizers as equivalent metrics of the landscape flatness of loss functions. We then propose to incorporate these two metrics as flatness-aware regularizers into the L2O framework in order to meta-train optimizers to learn to generalize, and theoretically show that such generalization ability can be learned during the L2O meta-training process and then transformed to the optimizee loss function. Extensive experiments consistently validate the effectiveness of our proposals with substantially improved generalization on multiple sophisticated L2O models and diverse optimizees. Our code is available at: https://github.com/VITA-Group/Open-L2O/tree/main/Model_Free_L2O/L2O-Entropy.

Clinicians prescribe antibiotics by looking at the patient's health record with an experienced eye. However, the therapy might be rendered futile if the patient has drug resistance. Determining drug resistance requires time-consuming laboratory-level testing while applying clinicians' heuristics in an automated way is difficult due to the categorical or binary medical events that constitute health records. In this paper, we propose a novel framework for rapid clinical intervention by viewing health records as graphs whose nodes are mapped from medical events and edges as correspondence between events in given a time window. A novel graph-based model is then proposed to extract informative features and yield automated drug resistance analysis from those high-dimensional and scarce graphs. The proposed method integrates multi-task learning into a common feature extracting graph encoder for simultaneous analyses of multiple drugs as well as stabilizing learning. On a massive dataset comprising over 110,000 patients with urinary tract infections, we verify the proposed method is capable of attaining superior performance on the drug resistance prediction problem. Furthermore, automated drug recommendations resemblant to laboratory-level testing can also be made based on the model resistance analysis.

This paper aims to develop a simple procedure to reduce and control the condition number of random matrices, and investigate the effect on the persistent homology (PH) of point clouds of well- and ill-conditioned matrices. For a square matrix generated randomly using Gaussian/Uniform distribution, the SVD-Surgery procedure works by: (1) computing its singular value decomposition (SVD), (2) replacing the diagonal factor by changing a list of the smaller singular values by a convex linear combination of the entries in the list, and (3) compute the new matrix by reversing the SVD. Applying SVD-Surgery on a matrix often results in having different diagonal factor to those of the input matrix. The spatial distribution of random square matrices are known to be correlated to the distribution of their condition numbers. The persistent homology (PH) investigations, therefore, are focused on comparing the effect of SVD-Surgery on point clouds of large datasets of randomly generated well-conditioned and ill-conditioned matrices, as well as that of the point clouds formed by their inverses. This work is motivated by the desire to stabilise the impact of Deep Learning (DL) training on medical images in terms of the condition numbers of their sets of convolution filters as a mean of reducing overfitting and improving robustness against tolerable amounts of image noise. When applied to convolution filters during training, the SVD-Surgery acts as a spectral regularisation of the DL model without the need for learning extra parameters. We shall demonstrate that for several point clouds of sufficiently large convolution filters our simple strategy preserve filters norm and reduces the norm of its inverse depending on the chosen linear combination parameters. Moreover, our approach showed significant improvements towards the well-conditioning of matrices and stable topological behaviour.

Uncertainty quantification is an essential task in machine learning - a task in which neural networks (NNs) have traditionally not excelled. Bayesian neural networks (BNNs), in which parameters and predictions are probability distributions, can be a remedy for some applications, but often require expensive sampling for training and inference. NNs with Bayesian last layer (BLL) are simplified BNNs where only the weights in the last layer and the predictions follow a normal distribution. They are conceptually related to Bayesian linear regression (BLR) which has recently gained popularity in learning based-control under uncertainty. Both consider a non-linear feature space which is linearly mapped to the output, and hyperparameters, for example the noise variance, For NNs with BLL, these hyperparameters should include the deterministic weights of all other layers, as these impact the feature space and thus the predictive performance. Unfortunately, the marginal likelihood is expensive to evaluate in this setting and prohibits direct training through back-propagation. In this work, we present a reformulation of the BLL log-marginal likelihood, which considers weights in previous layers as hyperparameters and allows for efficient training through back-propagation. Furthermore, we derive a simple method to improve the extrapolation uncertainty of NNs with BLL. In a multivariate toy example and in the case of a dynamic system identification task, we show that NNs with BLL, trained with our proposed algorithm, outperform standard BLR with NN features.

The Shapley value (SV) has emerged as a promising method for data valuation. However, computing or estimating the SV is often computationally expensive. To overcome this challenge, Jia et al. (2019) propose an advanced SV estimation algorithm called ``Group Testing-based SV estimator'' which achieves favorable asymptotic sample complexity. In this technical note, we present several improvements in the analysis and design choices of this SV estimator. Moreover, we point out that the Group Testing-based SV estimator does not fully reuse the collected samples. Our analysis and insights contribute to a better understanding of the challenges in developing efficient SV estimation algorithms for data valuation.

Personalized federated learning, as a variant of federated learning, trains customized models for clients using their heterogeneously distributed data. However, it is still inconclusive about how to design personalized models with better representation of shared global knowledge and personalized pattern. To bridge the gap, we in this paper explore personalized models with low-rank and sparse decomposition. Specifically, we employ proper regularization to extract a low-rank global knowledge representation (GKR), so as to distill global knowledge into a compact representation. Subsequently, we employ a sparse component over the obtained GKR to fuse the personalized pattern into the global knowledge. As a solution, we propose a two-stage proximal-based algorithm named \textbf{Fed}erated learning with mixed \textbf{S}parse and \textbf{L}ow-\textbf{R}ank representation (FedSLR) to efficiently search for the mixed models. Theoretically, under proper assumptions, we show that the GKR trained by FedSLR can at least sub-linearly converge to a stationary point of the regularized problem, and that the sparse component being fused can converge to its stationary point under proper settings. Extensive experiments also demonstrate the superior empirical performance of FedSLR. Moreover, FedSLR reduces the number of parameters, and lowers the down-link communication complexity, which are all desirable for federated learning algorithms. Source code is available in \url{https://github.com/huangtiansheng/fedslr}.

This work is on constrained large-scale non-convex optimization where the constraint set implies a manifold structure. Solving such problems is important in a multitude of fundamental machine learning tasks. Recent advances on Riemannian optimization have enabled the convenient recovery of solutions by adapting unconstrained optimization algorithms over manifolds. However, it remains challenging to scale up and meanwhile maintain stable convergence rates and handle saddle points. We propose a new second-order Riemannian optimization algorithm, aiming at improving convergence rate and reducing computational cost. It enhances the Riemannian trust-region algorithm that explores curvature information to escape saddle points through a mixture of subsampling and cubic regularization techniques. We conduct rigorous analysis to study the convergence behavior of the proposed algorithm. We also perform extensive experiments to evaluate it based on two general machine learning tasks using multiple datasets. The proposed algorithm exhibits improved computational speed and convergence behavior compared to a large set of state-of-the-art Riemannian optimization algorithms.

Probabilistic theory and differential equation are powerful tools for the interpretability and guidance of the design of machine learning models, especially for illuminating the mathematical motivation of learning latent variable from observation. Subspace learning maps high-dimensional features on low-dimensional subspace to capture efficient representation. Graphs are widely applied for modeling latent variable learning problems, and graph neural networks implement deep learning architectures on graphs. Inspired by probabilistic theory and differential equations, this paper conducts notes and proposals about graph neural networks to solve subspace learning problems by variational inference and differential equation. Source code of this paper is available at https://github.com/zshicode/Latent-variable-GNN.

Trajectory-User Linking (TUL) is crucial for human mobility modeling by linking different trajectories to users with the exploration of complex mobility patterns. Existing works mainly rely on the recurrent neural framework to encode the temporal dependencies in trajectories, have fall short in capturing spatial-temporal global context for TUL prediction. To fill this gap, this work presents a new hierarchical spatio-temporal attention neural network, called AttnTUL, to jointly encode the local trajectory transitional patterns and global spatial dependencies for TUL. Specifically, our first model component is built over the graph neural architecture to preserve the local and global context and enhance the representation paradigm of geographical regions and user trajectories. Additionally, a hierarchically structured attention network is designed to simultaneously encode the intra-trajectory and inter-trajectory dependencies, with the integration of the temporal attention mechanism and global elastic attentional encoder. Extensive experiments demonstrate the superiority of our AttnTUL method as compared to state-of-the-art baselines on various trajectory datasets. The source code of our model is available at \url{https://anonymous.4open.science/r/Attn_TUL}.

Given an empirical distribution $f(x)$ of sensitive data $x$, we consider the task of minimizing $F(y) = D_{\text{KL}} (f(x)\Vert y)$ over a probability simplex, while protecting the privacy of $x$. We observe that, if we take the exponential mechanism and use the KL divergence as the loss function, then the resulting algorithm is the Dirichlet mechanism that outputs a single draw from a Dirichlet distribution. Motivated by this, we propose a R\'enyi differentially private (RDP) algorithm that employs the Dirichlet mechanism to solve the KL divergence minimization task. In addition, given $f(x)$ as above and $\hat{y}$ an output of the Dirichlet mechanism, we prove a probability tail bound on $D_{\text{KL}} (f(x)\Vert \hat{y})$, which is then used to derive a lower bound for the sample complexity of our RDP algorithm. Experiments on real-world datasets demonstrate advantages of our algorithm over Gaussian and Laplace mechanisms in supervised classification and maximum likelihood estimation.

In Bayesian optimisation, we often seek to minimise the black-box objective functions that arise in real-world physical systems. A primary contributor to the cost of evaluating such black-box objective functions is often the effort required to prepare the system for measurement. We consider a common scenario where preparation costs grow as the distance between successive evaluations increases. In this setting, smooth optimisation trajectories are preferred and the jumpy paths produced by the standard myopic (i.e.\ one-step-optimal) Bayesian optimisation methods are sub-optimal. Our algorithm, MONGOOSE, uses a meta-learnt parametric policy to generate smooth optimisation trajectories, achieving performance gains over existing methods when optimising functions with large movement costs.

Traditional machine learning follows a close-set assumption that the training and test set share the same label space. While in many practical scenarios, it is inevitable that some test samples belong to unknown classes (open-set). To fix this issue, Open-Set Recognition (OSR), whose goal is to make correct predictions on both close-set samples and open-set samples, has attracted rising attention. In this direction, the vast majority of literature focuses on the pattern of open-set samples. However, how to evaluate model performance in this challenging task is still unsolved. In this paper, a systematic analysis reveals that most existing metrics are essentially inconsistent with the aforementioned goal of OSR: (1) For metrics extended from close-set classification, such as Open-set F-score, Youden's index, and Normalized Accuracy, a poor open-set prediction can escape from a low performance score with a superior close-set prediction. (2) Novelty detection AUC, which measures the ranking performance between close-set and open-set samples, ignores the close-set performance. To fix these issues, we propose a novel metric named OpenAUC. Compared with existing metrics, OpenAUC enjoys a concise pairwise formulation that evaluates open-set performance and close-set performance in a coupling manner. Further analysis shows that OpenAUC is free from the aforementioned inconsistency properties. Finally, an end-to-end learning method is proposed to minimize the OpenAUC risk, and the experimental results on popular benchmark datasets speak to its effectiveness. Project Page: https://github.com/wang22ti/OpenAUC.

The approximate nearest neighbor (ANN) search problem is fundamental to efficiently serving many real-world machine learning applications. A number of techniques have been developed for ANN search that are efficient, accurate, and scalable. However, such techniques typically have a number of parameters that affect the speed-recall tradeoff, and exhibit poor performance when such parameters aren't properly set. Tuning these parameters has traditionally been a manual process, demanding in-depth knowledge of the underlying search algorithm. This is becoming an increasingly unrealistic demand as ANN search grows in popularity. To tackle this obstacle to ANN adoption, this work proposes a constrained optimization-based approach to tuning quantization-based ANN algorithms. Our technique takes just a desired search cost or recall as input, and then generates tunings that, empirically, are very close to the speed-recall Pareto frontier and give leading performance on standard benchmarks.

In large datasets, it is hard to discover and analyze structure. It is thus common to introduce tags or keywords for the items. In applications, such datasets are then filtered based on these tags. Still, even medium-sized datasets with a few tags result in complex and for humans hard-to-navigate systems. In this work, we adopt the method of ordinal factor analysis to address this problem. An ordinal factor arranges a subset of the tags in a linear order based on their underlying structure. A complete ordinal factorization, which consists of such ordinal factors, precisely represents the original dataset. Based on such an ordinal factorization, we provide a way to discover and explain relationships between different items and attributes in the dataset. However, computing even just one ordinal factor of high cardinality is computationally complex. We thus propose the greedy algorithm in this work. This algorithm extracts ordinal factors using already existing fast algorithms developed in formal concept analysis. Then, we leverage to propose a comprehensive way to discover relationships in the dataset. We furthermore introduce a distance measure based on the representation emerging from the ordinal factorization to discover similar items. To evaluate the method, we conduct a case study on different datasets.

This paper considers a convex composite optimization problem with affine constraints, which includes problems that take the form of minimizing a smooth convex objective function over the intersection of (simple) convex sets, or regularized with multiple (simple) functions. Motivated by high-dimensional applications in which exact projection/proximal computations are not tractable, we propose a \textit{projection-free} augmented Lagrangian-based method, in which primal updates are carried out using a \textit{weak proximal oracle} (WPO). In an earlier work, WPO was shown to be more powerful than the standard \textit{linear minimization oracle} (LMO) that underlies conditional gradient-based methods (aka Frank-Wolfe methods). Moreover, WPO is computationally tractable for many high-dimensional problems of interest, including those motivated by recovery of low-rank matrices and tensors, and optimization over polytopes which admit efficient LMOs. The main result of this paper shows that under a certain curvature assumption (which is weaker than strong convexity), our WPO-based algorithm achieves an ergodic rate of convergence of $O(1/T)$ for both the objective residual and feasibility gap. This result, to the best of our knowledge, improves upon the $O(1/\sqrt{T})$ rate for existing LMO-based projection-free methods for this class of problems. Empirical experiments on a low-rank and sparse covariance matrix estimation task and the Max Cut semidefinite relaxation demonstrate that of our method can outperform state-of-the-art LMO-based Lagrangian-based methods.

During early optimization passes, compilers must make predictions for machine-dependent characteristics such as execution unit utilization, number of register spills, latency, throughput etc. to generate better code. Often a hand-written static/analytical hardware cost model is built into the compiler. However, the need for more sophisticated and varied predictions has become more pronounced with the development of deep learning compilers which need to optimize dataflow graphs. Such compilers usually employ a much higher level MLIR form as an IR representation before lowering to traditional LLVM-IR. A static/analytical cost model in such a scenario is cumbersome and error prone as the opcodes represent very high level algebraic/arithmetic operations. Hence, we develop a machine learning-based cost model for high-level MLIR which can predict different target variables of interest such as CPU/GPU/xPU utilization, instructions executed, register usage etc. By considering the incoming MLIR as a text input a la NLP models we can apply well-known techniques from modern NLP research to help predict hardware characteristics more accurately. We expect such precise ML-driven hardware cost models to guide our deep learning compiler in graph level optimizations around operator fusion, local memory allocation, kernel scheduling etc. as well as in many kernel-level optimizations such as loop interchange, LICM and unroll. We report early work-in -progress results of developing such models on high-level MLIR representing dataflow graphs emitted by Pytorch/Tensorflow-like frameworks as well as lower-level dialects like affine. We show that these models can provide reasonably good estimates with low error bounds for various hardware characteristics of interest and can be a go-to mechanism for hardware cost modelling in the future.

We previously proposed contextual spelling correction (CSC) to correct the output of end-to-end (E2E) automatic speech recognition (ASR) models with contextual information such as name, place, etc. Although CSC has achieved reasonable improvement in the biasing problem, there are still two drawbacks for further accuracy improvement. First, due to information limitation in text only hypothesis or weak performance of ASR model on rare domains, the CSC model may fail to correct phrases with similar pronunciation or anti-context cases where all biasing phrases are not present in the utterance. Second, there is a discrepancy between the training and inference of CSC. The bias list in training is randomly selected but in inference there may be more similarity between ground truth phrase and other phrases. To solve above limitations, in this paper we propose an improved non-autoregressive (NAR) spelling correction model for contextual biasing in E2E neural transducer-based ASR systems to improve the previous CSC model from two perspectives: Firstly, we incorporate acoustics information with an external attention as well as text hypotheses into CSC to better distinguish target phrase from dissimilar or irrelevant phrases. Secondly, we design a semantic aware data augmentation schema in training phrase to reduce the mismatch between training and inference to further boost the biasing accuracy. Experiments show that the improved method outperforms the baseline ASR+Biasing system by as much as 20.3% relative name recall gain and achieves stable improvement compared to the previous CSC method over different bias list name coverage ratio.

This paper delves into the fascinating field of AI-generated art and explores the various deep neural network architectures and models that have been utilized to create it. From the classic convolutional networks to the cutting-edge diffusion models, we examine the key players in the field. We explain the general structures and working principles of these neural networks. Then, we showcase examples of milestones, starting with the dreamy landscapes of DeepDream and moving on to the most recent developments, including Stable Diffusion and DALL-E 2, which produce mesmerizing images. A detailed comparison of these models is provided, highlighting their strengths and limitations. Thus, we examine the remarkable progress that deep neural networks have made so far in a short period of time. With a unique blend of technical explanations and insights into the current state of AI-generated art, this paper exemplifies how art and computer science interact.

A fundamental challenge for multi-task learning is that different tasks may conflict with each other when they are solved jointly, and a cause of this phenomenon is conflicting gradients during optimization. Recent works attempt to mitigate the influence of conflicting gradients by directly altering the gradients based on some criteria. However, our empirical study shows that ``gradient surgery'' cannot effectively reduce the occurrence of conflicting gradients. In this paper, we take a different approach to reduce conflicting gradients from the root. In essence, we investigate the task gradients w.r.t. each shared network layer, select the layers with high conflict scores, and turn them to task-specific layers. Our experiments show that such a simple approach can greatly reduce the occurrence of conflicting gradients in the remaining shared layers and achieve better performance, with only a slight increase in model parameters in many cases. Our approach can be easily applied to improve various state-of-the-art methods including gradient manipulation methods and branched architecture search methods. Given a network architecture (e.g., ResNet18), it only needs to search for the conflict layers once, and the network can be modified to be used with different methods on the same or even different datasets to gain performance improvement. The source code is available at https://github.com/moukamisama/Recon.

Several fully end-to-end text-to-speech (TTS) models have been proposed that have shown better performance compared to cascade models (i.e., training acoustic and vocoder models separately). However, they often generate unstable pitch contour with audible artifacts when the dataset contains emotional attributes, i.e., large diversity of pronunciation and prosody. To address this problem, we propose Period VITS, a novel end-to-end TTS model that incorporates an explicit periodicity generator. In the proposed method, we introduce a frame pitch predictor that predicts prosodic features, such as pitch and voicing flags, from the input text. From these features, the proposed periodicity generator produces a sample-level sinusoidal source that enables the waveform decoder to accurately reproduce the pitch. Finally, the entire model is jointly optimized in an end-to-end manner with variational inference and adversarial objectives. As a result, the decoder becomes capable of generating more stable, expressive, and natural output waveforms. The experimental results showed that the proposed model significantly outperforms baseline models in terms of naturalness, with improved pitch stability in the generated samples.

Recent years have witnessed increasing concerns towards unfair decisions made by machine learning algorithms. To improve fairness in model decisions, various fairness notions have been proposed and many fairness-aware methods are developed. However, most of existing definitions and methods focus only on single-label classification. Fairness for multi-label classification, where each instance is associated with more than one labels, is still yet to establish. To fill this gap, we study fairness-aware multi-label classification in this paper. We start by extending Demographic Parity (DP) and Equalized Opportunity (EOp), two popular fairness notions, to multi-label classification scenarios. Through a systematic study, we show that on multi-label data, because of unevenly distributed labels, EOp usually fails to construct a reliable estimate on labels with few instances. We then propose a new framework named Similarity $s$-induced Fairness ($s_\gamma$-SimFair). This new framework utilizes data that have similar labels when estimating fairness on a particular label group for better stability, and can unify DP and EOp. Theoretical analysis and experimental results on real-world datasets together demonstrate the advantage of over existing methods $s_\gamma$-SimFair on multi-label classification tasks.

Drug discovery is a complex process with a large molecular space to be considered. By constraining the search space, the fragment-based drug design is an approach that can effectively sample the chemical space of interest. Here we propose a framework of Recurrent Neural Networks (RNN) with an attention model to sample the chemical space of organophosphorus molecules using the fragment-based approach. The framework is trained with a ZINC dataset that is screened for high druglikeness scores. The goal is to predict molecules with similar biological action modes as organophosphorus pesticides or chemical warfare agents yet less toxic to humans. The generated molecules contain a starting fragment of PO2F but have a bulky hydrocarbon side chain limiting its binding effectiveness to the targeted protein.

User engagement prediction plays a critical role for designing interaction strategies to grow user engagement and increase revenue in online social platforms. Through the in-depth analysis of the real-world data from the world's largest professional social platforms, i.e., LinkedIn, we find that users expose diverse engagement patterns, and a major reason for the differences in user engagement patterns is that users have different intents. That is, people have different intents when using LinkedIn, e.g., applying for jobs, building connections, or checking notifications, which shows quite different engagement patterns. Meanwhile, user intents and the corresponding engagement patterns may change over time. Although such pattern differences and dynamics are essential for user engagement prediction, differentiating user engagement patterns based on user dynamic intents for better user engagement forecasting has not received enough attention in previous works. In this paper, we proposed a Dynamic Intent Guided Meta Network (DIGMN), which can explicitly model user intent varying with time and perform differentiated user engagement forecasting. Specifically, we derive some interpretable basic user intents as prior knowledge from data mining and introduce prior intents in explicitly modeling dynamic user intent. Furthermore, based on the dynamic user intent representations, we propose a meta predictor to perform differentiated user engagement forecasting. Through a comprehensive evaluation on LinkedIn anonymous user data, our method outperforms state-of-the-art baselines significantly, i.e., 2.96% and 3.48% absolute error reduction, on coarse-grained and fine-grained user engagement prediction tasks, respectively, demonstrating the effectiveness of our method.

Random Fourier Features (RFF) is among the most popular and broadly applicable approaches for scaling up kernel methods. In essence, RFF allows the user to avoid costly computations on a large kernel matrix via a fast randomized approximation. However, a pervasive difficulty in applying RFF is that the user does not know the actual error of the approximation, or how this error will propagate into downstream learning tasks. Up to now, the RFF literature has primarily dealt with these uncertainties using theoretical error bounds, but from a user's standpoint, such results are typically impractical -- either because they are highly conservative or involve unknown quantities. To tackle these general issues in a data-driven way, this paper develops a bootstrap approach to numerically estimate the errors of RFF approximations. Three key advantages of this approach are: (1) The error estimates are specific to the problem at hand, avoiding the pessimism of worst-case bounds. (2) The approach is flexible with respect to different uses of RFF, and can even estimate errors in downstream learning tasks. (3) The approach enables adaptive computation, so that the user can quickly inspect the error of a rough initial kernel approximation and then predict how much extra work is needed. Lastly, in exchange for all of these benefits, the error estimates can be obtained at a modest computational cost.

Pushing is an essential non-prehensile manipulation skill used for tasks ranging from pre-grasp manipulation to scene rearrangement, reasoning about object relations in the scene, and thus pushing actions have been widely studied in robotics. The effective use of pushing actions often requires an understanding of the dynamics of the manipulated objects and adaptation to the discrepancies between prediction and reality. For this reason, effect prediction and parameter estimation with pushing actions have been heavily investigated in the literature. However, current approaches are limited because they either model systems with a fixed number of objects or use image-based representations whose outputs are not very interpretable and quickly accumulate errors. In this paper, we propose a graph neural network based framework for effect prediction and parameter estimation of pushing actions by modeling object relations based on contacts or articulations. Our framework is validated both in real and simulated environments containing different shaped multi-part objects connected via different types of joints and objects with different masses, and it outperforms image-based representations on physics prediction. Our approach enables the robot to predict and adapt the effect of a pushing action as it observes the scene. It can also be used for tool manipulation with never-seen tools. Further, we demonstrate 6D effect prediction in the lever-up action in the context of robot-based hard-disk disassembly.

When facing data with imbalanced classes or groups, practitioners follow an intriguing strategy to achieve best results. They throw away examples until the classes or groups are balanced in size, and then perform empirical risk minimization on the reduced training set. This opposes common wisdom in learning theory, where the expected error is supposed to decrease as the dataset grows in size. In this work, we leverage extreme value theory to address this apparent contradiction. Our results show that the tails of the data distribution play an important role in determining the worst-group-accuracy of linear classifiers. When learning on data with heavy tails, throwing away data restores the geometric symmetry of the resulting classifier, and therefore improves its worst-group generalization.

Computational fluid dynamics is a common tool in cardiovascular science and engineering to simulate, predict and study hemodynamics in arteries. However, owing to the complexity and scale of cardiovascular flow problems, the evaluation of the model could be computationally expensive, especially in those cases where a large number of evaluations are required, such as uncertainty quantification and design optimisation. In such scenarios, the model may have to be repeatedly evaluated due to the changes or distinctions of simulation domains. In this work, a data-driven surrogate model is proposed for the efficient prediction of blood flow simulations on similar but distinct domains. The proposed surrogate model leverages surface registration to parameterise those similar but distinct shapes and formulate corresponding hemodynamics information into geometry-informed snapshots by the diffeomorphism constructed between the reference domain and target domain. A non-intrusive reduced-order model for geometrical parameters is subsequently constructed using proper orthogonal decomposition, and a radial basis function interpolator is trained for predicting the reduced coefficients of the reduced-order model based on reduced coefficients of geometrical parameters of the shape. Two examples of blood flowing through a stenosis and a bifurcation are presented and analysed. The proposed surrogate model demonstrates its accuracy and efficiency in hemodynamics prediction and shows its potential application toward real-time simulation or uncertainty quantification for complex patient-specific scenarios.

Artificial intelligence (AI)-empowered industrial fault diagnostics is important in ensuring the safe operation of industrial applications. Since complex industrial systems often involve multiple industrial plants (possibly belonging to different companies or subsidiaries) with sensitive data collected and stored in a distributed manner, collaborative fault diagnostic model training often needs to leverage federated learning (FL). As the scale of the industrial fault diagnostic models are often large and communication channels in such systems are often not exclusively used for FL model training, existing deployed FL model training frameworks cannot train such models efficiently across multiple institutions. In this paper, we report our experience developing and deploying the Federated Opportunistic Block Dropout (FEDOBD) approach for industrial fault diagnostic model training. By decomposing large-scale models into semantic blocks and enabling FL participants to opportunistically upload selected important blocks in a quantized manner, it significantly reduces the communication overhead while maintaining model performance. Since its deployment in ENN Group in February 2022, FEDOBD has served two coal chemical plants across two cities in China to build industrial fault prediction models. It helped the company reduce the training communication overhead by over 70% compared to its previous AI Engine, while maintaining model performance at over 85% test F1 score. To our knowledge, it is the first successfully deployed dropout-based FL approach.

Quantification of forest biomass stocks and their dynamics is important for implementing effective climate change mitigation measures. The knowledge is needed, e.g., for local forest management, studying the processes driving af-, re-, and deforestation, and can improve the accuracy of carbon-accounting. Remote sensing using airborne LiDAR can be used to perform these measurements of vegetation structure at large scale. We present deep learning systems for predicting wood volume, above-ground biomass (AGB), and subsequently above-ground carbon stocks directly from airborne LiDAR point clouds. We devise different neural network architectures for point cloud regression and evaluate them on remote sensing data of areas for which AGB estimates have been obtained from field measurements in the Danish national forest inventory. Our adaptation of Minkowski convolutional neural networks for regression gave the best results. The deep neural networks produced significantly more accurate wood volume, AGB, and carbon stock estimates compared to state-of-the-art approaches operating on basic statistics of the point clouds. In contrast to other methods, the proposed deep learning approach does not require a digital terrain model. We expect this finding to have a strong impact on LiDAR-based analyses of biomass dynamics.

Transfer learning has recently become the dominant paradigm of machine learning. Pre-trained models fine-tuned for downstream tasks achieve better performance with fewer labelled examples. Nonetheless, it remains unclear how to develop models that specialise towards multiple tasks without incurring negative interference and that generalise systematically to non-identically distributed tasks. Modular deep learning has emerged as a promising solution to these challenges. In this framework, units of computation are often implemented as autonomous parameter-efficient modules. Information is conditionally routed to a subset of modules and subsequently aggregated. These properties enable positive transfer and systematic generalisation by separating computation from routing and updating modules locally. We offer a survey of modular architectures, providing a unified view over several threads of research that evolved independently in the scientific literature. Moreover, we explore various additional purposes of modularity, including scaling language models, causal inference, programme induction, and planning in reinforcement learning. Finally, we report various concrete applications where modularity has been successfully deployed such as cross-lingual and cross-modal knowledge transfer. Related talks and projects to this survey, are available at https://www.modulardeeplearning.com/.

In low-rank matrix recovery, the goal is to recover a low-rank matrix, given a limited number of linear and possibly noisy measurements. Low-rank matrix recovery is typically solved via a nonconvex method called Burer-Monteiro factorization (BM). If the rank of the ground truth is known, BM is free of sub-optimal local solutions, and its true solutions coincide with the global solutions -- that is, the true solutions are identifiable. When the rank of the ground truth is unknown, it must be over-estimated, giving rise to an over-parameterized BM. In the noiseless regime, it is recently shown that over-estimation of the rank leads to progressively fewer sub-optimal local solutions while preserving the identifiability of the true solutions. In this work, we show that with noisy measurements, the global solutions of the over-parameterized BM no longer correspond to the true solutions, essentially transmuting over-parameterization from blessing to curse. In particular, we study two classes of low-rank matrix recovery, namely matrix completion and matrix sensing. For matrix completion, we show that even if the rank is only slightly over-estimated and with very mild assumptions on the noise, none of the true solutions are local or global solutions. For matrix sensing, we show that to guarantee the correspondence between global and true solutions, it is necessary and sufficient for the number of samples to scale linearly with the over-estimated rank, which can be drastically larger than its optimal sample complexity that only scales with the true rank.

Continual learning (CL) refers to a machine learning paradigm that learns continuously without forgetting previously acquired knowledge. Thereby, major difficulty in CL is catastrophic forgetting of preceding tasks, caused by shifts in data distributions. Existing CL models often save a large number of old examples and stochastically revisit previously seen data to retain old knowledge. However, the occupied memory size keeps enlarging along with accumulating seen data. Hereby, we propose a memory-efficient CL method by storing a few samples to achieve good performance. We devise a dynamic prototype-guided memory replay module and incorporate it into an online meta-learning model. We conduct extensive experiments on text classification and investigate the effect of training set orders on CL model performance. The experimental results testify the superiority of our method in terms of forgetting mitigation and efficiency.

Data scarcity is a problem that occurs in languages and tasks where we do not have large amounts of labeled data but want to use state-of-the-art models. Such models are often deep learning models that require a significant amount of data to train. Acquiring data for various machine learning problems is accompanied by high labeling costs. Data augmentation is a low-cost approach for tackling data scarcity. This paper gives an overview of current state-of-the-art data augmentation methods used for natural language processing, with an emphasis on methods for neural and transformer-based models. Furthermore, it discusses the practical challenges of data augmentation, possible mitigations, and directions for future research.

Explaining algorithmic decisions and recommending actionable feedback is increasingly important for machine learning applications. Recently, significant efforts have been invested in finding a diverse set of recourses to cover the wide spectrum of users' preferences. However, existing works often neglect the requirement that the recourses should be close to the data manifold; hence, the constructed recourses might be implausible and unsatisfying to users. To address these issues, we propose a novel approach that explicitly directs the diverse set of actionable recourses towards the data manifold. We first find a diverse set of prototypes in the favorable class that balances the trade-off between diversity and proximity. We demonstrate two specific methods to find these prototypes: either by finding the maximum a posteriori estimate of a determinantal point process or by solving a quadratic binary program. To ensure the actionability constraints, we construct an actionability graph in which the nodes represent the training samples and the edges indicate the feasible action between two instances. We then find a feasible path to each prototype, and this path demonstrates the feasible actions for each recourse in the plan. The experimental results show that our method produces a set of recourses that are close to the data manifold while delivering a better cost-diversity trade-off than existing approaches.

In this study, we developed and tested machine learning models to predict epilepsy surgical outcome using noninvasive clinical and demographic data from patients. Methods: Seven dif-ferent categorization algorithms were used to analyze the data. The techniques are also evaluated using the Leave-One-Out method. For precise evaluation of the results, the parameters accuracy, precision, recall and, F1-score are calculated. Results: Our findings revealed that a machine learning-based presurgical model of patients' clinical features may accurately predict the outcome of epilepsy surgery in patients with drug-resistant lesional epilepsy. The support vector machine (SVM) with the linear kernel yielded 76.1% in terms of accuracy could predict results in 96.7% of temporal lobe epilepsy (TLE) patients and 79.5% of extratemporal lobe epilepsy (ETLE) cases using ten clinical features. Significance: To predict the outcome of epilepsy surgery, this study recommends the use of a machine learning strategy based on supervised classification and se-lection of feature subsets data mining. Progress in the development of machine learning-based prediction models offers optimism for personalised medicine access.

In this work, we further develop the Physics-informed Spectral Learning (PiSL) by Espath et al. \cite{Esp21} based on a discrete $L^2$ projection to solve the discrete Hodge--Helmholtz decomposition from sparse data. Within this physics-informed statistical learning framework, we adaptively build a sparse set of Fourier basis functions with corresponding coefficients by solving a sequence of minimization problems where the set of basis functions is augmented greedily at each optimization problem. Moreover, our PiSL computational framework enjoys spectral (exponential) convergence. We regularize the minimization problems with the seminorm of the fractional Sobolev space in a Tikhonov fashion. In the Fourier setting, the divergence- and curl-free constraints become a finite set of linear algebraic equations. The proposed computational framework combines supervised and unsupervised learning techniques in that we use data concomitantly with the projection onto divergence- and curl-free spaces. We assess the capabilities of our method in various numerical examples including the `Storm of the Century' with satellite data from 1993.

With knowledge graphs (KGs) at the center of numerous applications such as recommender systems and question answering, the need for generalized pipelines to construct and continuously update such KGs is increasing. While the individual steps that are necessary to create KGs from unstructured (e.g. text) and structured data sources (e.g. databases) are mostly well-researched for their one-shot execution, their adoption for incremental KG updates and the interplay of the individual steps have hardly been investigated in a systematic manner so far. In this work, we first discuss the main graph models for KGs and introduce the major requirement for future KG construction pipelines. Next, we provide an overview of the necessary steps to build high-quality KGs, including cross-cutting topics such as metadata management, ontology development, and quality assurance. We then evaluate the state of the art of KG construction w.r.t the introduced requirements for specific popular KGs as well as some recent tools and strategies for KG construction. Finally, we identify areas in need of further research and improvement.

This paper focuses on three critical problems on protein classification. Firstly, Carbohydrate-active enzyme (CAZyme) classification can help people to understand the properties of enzymes. However, one CAZyme may belong to several classes. This leads to Multi-label CAZyme classification. Secondly, to capture information from the secondary structure of protein, protein classification is modeled as graph classification problem. Thirdly, compound-protein interactions prediction employs graph learning for compound with sequential embedding for protein. This can be seen as classification task for compound-protein pairs. This paper proposes three models for protein classification. Firstly, this paper proposes a Multi-label CAZyme classification model using CNN-LSTM with Attention mechanism. Secondly, this paper proposes a variational graph autoencoder based subspace learning model for protein graph classification. Thirdly, this paper proposes graph isomorphism networks (GIN) and Attention-based CNN-LSTM for compound-protein interactions prediction, as well as comparing GIN with graph convolution networks (GCN) and graph attention networks (GAT) in this task. The proposed models are effective for protein classification. Source code and data are available at https://github.com/zshicode/GNN-AttCL-protein. Besides, this repository collects and collates the benchmark datasets with respect to above problems, including CAZyme classification, enzyme protein graph classification, compound-protein interactions prediction, drug-target affinities prediction and drug-drug interactions prediction. Hence, the usage for evaluation by benchmark datasets can be more conveniently.

User Behavior Modeling (UBM) plays a critical role in user interest learning, which has been extensively used in recommender systems. Crucial interactive patterns between users and items have been exploited, which brings compelling improvements in many recommendation tasks. In this paper, we attempt to provide a thorough survey of this research topic. We start by reviewing the research background of UBM. Then, we provide a systematic taxonomy of existing UBM research works, which can be categorized into four different directions including Conventional UBM, Long-Sequence UBM, Multi-Type UBM, and UBM with Side Information. Within each direction, representative models and their strengths and weaknesses are comprehensively discussed. Besides, we elaborate on the industrial practices of UBM methods with the hope of providing insights into the application value of existing UBM solutions. Finally, we summarize the survey and discuss the future prospects of this field.

The recovery of time-varying graph signals is a fundamental problem with numerous applications in sensor networks and forecasting in time series. Effectively capturing the spatio-temporal information in these signals is essential for the downstream tasks. Previous studies have used the smoothness of the temporal differences of such graph signals as an initial assumption. Nevertheless, this smoothness assumption could result in a degradation of performance in the corresponding application when the prior does not hold. In this work, we relax the requirement of this hypothesis by including a learning module. We propose a Time Graph Neural Network (TimeGNN) for the recovery of time-varying graph signals. Our algorithm uses an encoder-decoder architecture with a specialized loss composed of a mean squared error function and a Sobolev smoothness operator.TimeGNN shows competitive performance against previous methods in real datasets.

As climate change increases the intensity of natural disasters, society needs better tools for adaptation. Floods, for example, are the most frequent natural disaster, and better tools for flood risk communication could increase the support for flood-resilient infrastructure development. Our work aims to enable more visual communication of large-scale climate impacts via visualizing the output of coastal flood models as satellite imagery. We propose the first deep learning pipeline to ensure physical-consistency in synthetic visual satellite imagery. We advanced a state-of-the-art GAN called pix2pixHD, such that it produces imagery that is physically-consistent with the output of an expert-validated storm surge model (NOAA SLOSH). By evaluating the imagery relative to physics-based flood maps, we find that our proposed framework outperforms baseline models in both physical-consistency and photorealism. We envision our work to be the first step towards a global visualization of how the climate challenge will shape our landscape. Continuing on this path, we show that the proposed pipeline generalizes to visualize reforestation. We also publish a dataset of over 25k labelled image-triplets to study image-to-image translation in Earth observation.

We propose a way to favorably employ neural networks in the field of non-destructive testing using Full Waveform Inversion (FWI). The presented methodology discretizes the unknown material distribution in the domain with a neural network within an adjoint optimization. To further increase efficiency of the FWI, pretrained neural networks are used to provide a good starting point for the inversion. This reduces the number of iterations in the Full Waveform Inversion for specific, yet generalizable settings.

The Gaussianity assumption has been pointed out as the main limitation of the Variational AutoEncoder (VAE) in spite of its usefulness in computation. To improve the distributional capacity (i.e., expressive power of distributional family) of the VAE, we propose a new VAE learning method with a nonparametric distributional assumption on its generative model. By estimating an infinite number of conditional quantiles, our proposed VAE model directly estimates the conditional cumulative distribution function, and we call this approach distributional learning of the VAE. Furthermore, by adopting the continuous ranked probability score (CRPS) loss, our proposed learning method becomes computationally tractable. To evaluate how well the underlying distribution of the dataset is captured, we apply our model for synthetic data generation based on inverse transform sampling. Numerical results with real tabular datasets corroborate our arguments.

In this paper, we propose a novel method, IB-RAR, which uses Information Bottleneck (IB) to strengthen adversarial robustness for both adversarial training and non-adversarial-trained methods. We first use the IB theory to build regularizers as learning objectives in the loss function. Then, we filter out unnecessary features of intermediate representation according to their mutual information (MI) with labels, as the network trained with IB provides easily distinguishable MI for its features. Experimental results show that our method can be naturally combined with adversarial training and provides consistently better accuracy on new adversarial examples. Our method improves the accuracy by an average of 3.07% against five adversarial attacks for the VGG16 network, trained with three adversarial training benchmarks and the CIFAR-10 dataset. In addition, our method also provides good robustness for undefended methods, such as training with cross-entropy loss only. Finally, in the absence of adversarial training, the VGG16 network trained using our method and the CIFAR-10 dataset reaches an accuracy of 35.86% against PGD examples, while using all layers reaches 25.61% accuracy.

Stuttering is a neuro-developmental speech impairment characterized by uncontrolled utterances (interjections) and core behaviors (blocks, repetitions, and prolongations), and is caused by the failure of speech sensorimotors. Due to its complex nature, stuttering detection (SD) is a difficult task. If detected at an early stage, it could facilitate speech therapists to observe and rectify the speech patterns of persons who stutter (PWS). The stuttered speech of PWS is usually available in limited amounts and is highly imbalanced. To this end, we address the class imbalance problem in the SD domain via a multibranching (MB) scheme and by weighting the contribution of classes in the overall loss function, resulting in a huge improvement in stuttering classes on the SEP-28k dataset over the baseline (StutterNet). To tackle data scarcity, we investigate the effectiveness of data augmentation on top of a multi-branched training scheme. The augmented training outperforms the MB StutterNet (clean) by a relative margin of 4.18% in macro F1-score (F1). In addition, we propose a multi-contextual (MC) StutterNet, which exploits different contexts of the stuttered speech, resulting in an overall improvement of 4.48% in F 1 over the single context based MB StutterNet. Finally, we have shown that applying data augmentation in the cross-corpora scenario can improve the overall SD performance by a relative margin of 13.23% in F1 over the clean training.

Randomized controlled trials (RCTs) are considered the gold standard for estimating the average treatment effect (ATE) of interventions. One use of RCTs is to study the causes of global poverty -- a subject explicitly cited in the 2019 Nobel Memorial Prize awarded to Duflo, Banerjee, and Kremer "for their experimental approach to alleviating global poverty." Because the ATE is a population summary, anti-poverty experiments often seek to unpack the effect variation around the ATE by conditioning (CATE) on tabular variables such as age and ethnicity that were measured during the RCT data collection. Although such variables are key to unpacking CATE, using only such variables may fail to capture historical, geographical, or neighborhood-specific contributors to effect variation, as tabular RCT data are often only observed near the time of the experiment. In global poverty research, when the location of the experiment units is approximately known, satellite imagery can provide a window into such factors important for understanding heterogeneity. However, there is no method that specifically enables applied researchers to analyze CATE from images. In this paper, using a deep probabilistic modeling framework, we develop such a method that estimates latent clusters of images by identifying images with similar treatment effects distributions. Our interpretable image CATE model also includes a sensitivity factor that quantifies the importance of image segments contributing to the effect cluster prediction. We compare the proposed methods against alternatives in simulation; also, we show how the model works in an actual RCT, estimating the effects of an anti-poverty intervention in northern Uganda and obtaining a posterior predictive distribution over effects for the rest of the country where no experimental data was collected. We make all models available in open-source software.

In recent years as the internet age continues to grow, sharing images on social media has become a common occurrence. In certain cases, watermarks are used as protection for the ownership of the image, however, in more cases, one may wish to remove these watermark images to get the original image without obscuring. In this work, we proposed a deep learning method based technique for visual watermark removal. Inspired by the strong image translation performance of the U-structure, an end-to-end deep neural network model named AdvancedUnet is proposed to extract and remove the visual watermark simultaneously. On the other hand, we embed some effective RSU module instead of the common residual block used in UNet, which increases the depth of the whole architecture without significantly increasing the computational cost. The deep-supervised hybrid loss guides the network to learn the transformation between the input image and the ground truth in a multi-scale and three-level hierarchy. Comparison experiments demonstrate the effectiveness of our method.

AI-based protein structure prediction pipelines, such as AlphaFold2, have achieved near-experimental accuracy. These advanced pipelines mainly rely on Multiple Sequence Alignments (MSAs) as inputs to learn the co-evolution information from the homologous sequences. Nonetheless, searching MSAs from protein databases is time-consuming, usually taking dozens of minutes. Consequently, we attempt to explore the limits of fast protein structure prediction by using only primary sequences of proteins. HelixFold-Single is proposed to combine a large-scale protein language model with the superior geometric learning capability of AlphaFold2. Our proposed method, HelixFold-Single, first pre-trains a large-scale protein language model (PLM) with thousands of millions of primary sequences utilizing the self-supervised learning paradigm, which will be used as an alternative to MSAs for learning the co-evolution information. Then, by combining the pre-trained PLM and the essential components of AlphaFold2, we obtain an end-to-end differentiable model to predict the 3D coordinates of atoms from only the primary sequence. HelixFold-Single is validated in datasets CASP14 and CAMEO, achieving competitive accuracy with the MSA-based methods on the targets with large homologous families. Furthermore, HelixFold-Single consumes much less time than the mainstream pipelines for protein structure prediction, demonstrating its potential in tasks requiring many predictions. The code of HelixFold-Single is available at https://github.com/PaddlePaddle/PaddleHelix/tree/dev/apps/protein_folding/helixfold-single, and we also provide stable web services on https://paddlehelix.baidu.com/app/drug/protein-single/forecast.

Machine Learning (ML) has been widely adopted in design exploration using high level synthesis (HLS) to give a better and faster performance, and resource and power estimation at very early stages for FPGA-based design. To perform prediction accurately, high-quality and large-volume datasets are required for training ML models.This paper presents a dataset for ML-assisted FPGA design using HLS, called HLSDataset. The dataset is generated from widely used HLS C benchmarks including Polybench, Machsuite, CHStone and Rossetta. The Verilog samples are generated with a variety of directives including loop unroll, loop pipeline and array partition to make sure optimized and realistic designs are covered. The total number of generated Verilog samples is nearly 9,000 per FPGA type. To demonstrate the effectiveness of our dataset, we undertake case studies to perform power estimation and resource usage estimation with ML models trained with our dataset. All the codes and dataset are public at the github repo.We believe that HLSDataset can save valuable time for researchers by avoiding the tedious process of running tools, scripting and parsing files to generate the dataset, and enable them to spend more time where it counts, that is, in training ML models.

Social media platforms have enabled extremists to organize violent events, such as the 2021 U.S. Capitol Attack. Simultaneously, these platforms enable professional investigators and amateur sleuths to collaboratively collect and identify imagery of suspects with the goal of holding them accountable for their actions. Through a case study of Sedition Hunters, a Twitter community whose goal is to identify individuals who participated in the 2021 U.S. Capitol Attack, we explore what are the main topics or targets of the community, who participates in the community, and how. Using topic modeling, we find that information sharing is the main focus of the community. We also note an increase in awareness of privacy concerns. Furthermore, using social network analysis, we show how some participants played important roles in the community. Finally, we discuss implications for the content and structure of online crowdsourced investigations.

We study the problem of representational transfer in RL, where an agent first pretrains in a number of source tasks to discover a shared representation, which is subsequently used to learn a good policy in a \emph{target task}. We propose a new notion of task relatedness between source and target tasks, and develop a novel approach for representational transfer under this assumption. Concretely, we show that given generative access to source tasks, we can discover a representation, using which subsequent linear RL techniques quickly converge to a near-optimal policy in the target task. The sample complexity is close to knowing the ground truth features in the target task, and comparable to prior representation learning results in the source tasks. We complement our positive results with lower bounds without generative access, and validate our findings with empirical evaluation on rich observation MDPs that require deep exploration. In our experiments, we observe a speed up in learning in the target by pre-training, and also validate the need for generative access in source tasks.

We propose derivative-informed neural operators (DINOs), a general family of neural networks to approximate operators as infinite-dimensional mappings from input function spaces to output function spaces or quantities of interest. After discretizations both inputs and outputs are high-dimensional. We aim to approximate not only the operators with improved accuracy but also their derivatives (Jacobians) with respect to the input function-valued parameter to empower derivative-based algorithms in many applications, e.g., Bayesian inverse problems, optimization under parameter uncertainty, and optimal experimental design. The major difficulties include the computational cost of generating derivative training data and the high dimensionality of the problem leading to large training cost. To address these challenges, we exploit the intrinsic low-dimensionality of the derivatives and develop algorithms for compressing derivative information and efficiently imposing it in neural operator training yielding derivative-informed neural operators. We demonstrate that these advances can significantly reduce the costs of both data generation and training for large classes of problems (e.g., nonlinear steady state parametric PDE maps), making the costs marginal or comparable to the costs without using derivatives, and in particular independent of the discretization dimension of the input and output functions. Moreover, we show that the proposed DINO achieves significantly higher accuracy than neural operators trained without derivative information, for both function approximation and derivative approximation (e.g., Gauss-Newton Hessian), especially when the training data are limited.

Pre-trained multilingual language models (e.g., mBERT, XLM-RoBERTa) have significantly advanced the state-of-the-art for zero-shot cross-lingual information extraction. These language models ubiquitously rely on word segmentation techniques that break a word into smaller constituent subwords. Therefore, all word labeling tasks (e.g. named entity recognition, event detection, etc.), necessitate a pooling strategy that takes the subword representations as input and outputs a representation for the entire word. Taking the task of cross-lingual event detection as a motivating example, we show that the choice of pooling strategy can have a significant impact on the target language performance. For example, the performance varies by up to 16 absolute $f_{1}$ points depending on the pooling strategy when training in English and testing in Arabic on the ACE task. We carry out our analysis with five different pooling strategies across nine languages in diverse multi-lingual datasets. Across configurations, we find that the canonical strategy of taking just the first subword to represent the entire word is usually sub-optimal. On the other hand, we show that attention pooling is robust to language and dataset variations by being either the best or close to the optimal strategy. For reproducibility, we make our code available at https://github.com/isi-boston/ed-pooling.

Super-resolution plays an essential role in medical imaging because it provides an alternative way to achieve high spatial resolutions and image quality with no extra acquisition costs. In the past few decades, the rapid development of deep neural networks has promoted super-resolution performance with novel network architectures, loss functions and evaluation metrics. Specifically, vision transformers dominate a broad range of computer vision tasks, but challenges still exist when applying them to low-level medical image processing tasks. This paper proposes an efficient vision transformer with residual dense connections and local feature fusion, aiming to achieve efficient single-image super-resolution (SISR) of medical modalities. Moreover, we implement a general-purpose perceptual loss with manual control for image quality improvements of desired aspects by incorporating prior knowledge of medical image segmentation. Compared with state-of-the-art methods on four public medical image datasets, the proposed method achieves the best PSNR scores of 6 modalities among seven modalities in total. It leads to an average improvement of $+0.09$ dB PSNR with only 38\% parameters of SwinIR. On the other hand, the segmentation-based perceptual loss increases $+0.14$ dB PSNR on average for SOTA methods, including CNNs and vision transformers. Additionally, we conduct comprehensive ablation studies to discuss potential factors for the superior performance of vision transformers over CNNs and the impacts of network and loss function components.

We propose a new strategy to improve the accuracy and robustness of image classification. First, we train a baseline CNN model. Then, we identify challenging regions in the feature space by identifying all misclassified samples, and correctly classified samples with low confidence values. These samples are then used to train a Variational AutoEncoder (VAE). Next, the VAE is used to generate synthetic images. Finally, the generated synthetic images are used in conjunction with the original labeled images to train a new model in a semi-supervised fashion. Empirical results on benchmark datasets such as STL10 and CIFAR-100 show that the synthetically generated samples can further diversify the training data, leading to improvement in image classification in comparison with the fully supervised baseline approaches using only the available data.

Across domains such as medicine, employment, and criminal justice, predictive models often target labels that imperfectly reflect the outcomes of interest to experts and policymakers. For example, clinical risk assessments deployed to inform physician decision-making often predict measures of healthcare utilization (e.g., costs, hospitalization) as a proxy for patient medical need. These proxies can be subject to outcome measurement error when they systematically differ from the target outcome they are intended to measure. However, prior modeling efforts to characterize and mitigate outcome measurement error overlook the fact that the decision being informed by a model often serves as a risk-mitigating intervention that impacts the target outcome of interest and its recorded proxy. Thus, in these settings, addressing measurement error requires counterfactual modeling of treatment effects on outcomes. In this work, we study intersectional threats to model reliability introduced by outcome measurement error, treatment effects, and selection bias from historical decision-making policies. We develop an unbiased risk minimization method which, given knowledge of proxy measurement error properties, corrects for the combined effects of these challenges. We also develop a method for estimating treatment-dependent measurement error parameters when these are unknown in advance. We demonstrate the utility of our approach theoretically and via experiments on real-world data from randomized controlled trials conducted in healthcare and employment domains. As importantly, we demonstrate that models correcting for outcome measurement error or treatment effects alone suffer from considerable reliability limitations. Our work underscores the importance of considering intersectional threats to model validity during the design and evaluation of predictive models for decision support.

Denoising diffusion probabilistic models (DDPMs) (Ho et al. 2020) have shown impressive results on image and waveform generation in continuous state spaces. Here, we introduce Discrete Denoising Diffusion Probabilistic Models (D3PMs), diffusion-like generative models for discrete data that generalize the multinomial diffusion model of Hoogeboom et al. 2021, by going beyond corruption processes with uniform transition probabilities. This includes corruption with transition matrices that mimic Gaussian kernels in continuous space, matrices based on nearest neighbors in embedding space, and matrices that introduce absorbing states. The third allows us to draw a connection between diffusion models and autoregressive and mask-based generative models. We show that the choice of transition matrix is an important design decision that leads to improved results in image and text domains. We also introduce a new loss function that combines the variational lower bound with an auxiliary cross entropy loss. For text, this model class achieves strong results on character-level text generation while scaling to large vocabularies on LM1B. On the image dataset CIFAR-10, our models approach the sample quality and exceed the log-likelihood of the continuous-space DDPM model.

In this paper, we consider the task of clustering a set of individual time series while modeling each cluster, that is, model-based time series clustering. The task requires a parametric model with sufficient flexibility to describe the dynamics in various time series. To address this problem, we propose a novel model-based time series clustering method with mixtures of linear Gaussian state space models, which have high flexibility. The proposed method uses a new expectation-maximization algorithm for the mixture model to estimate the model parameters, and determines the number of clusters using the Bayesian information criterion. Experiments on a simulated dataset demonstrate the effectiveness of the method in clustering, parameter estimation, and model selection. The method is applied to real datasets commonly used to evaluate time series clustering methods. Results showed that the proposed method produces clustering results that are as accurate or more accurate than those obtained using previous methods.

We provide open, transparent implementation and assessment of Google Brain's deep reinforcement learning approach to macro placement and its Circuit Training (CT) implementation in GitHub. We implement in open source key "blackbox" elements of CT, and clarify discrepancies between CT and Nature paper. New testcases on open enablements are developed and released. We assess CT alongside multiple alternative macro placers, with all evaluation flows and related scripts public in GitHub. Our experiments also encompass academic mixed-size placement benchmarks, as well as ablation and stability studies. We comment on the impact of Nature and CT, as well as directions for future research.

Causal effect estimation is important for many tasks in the natural and social sciences. We design algorithms for the continuous partial identification problem: bounding the effects of multivariate, continuous treatments when unmeasured confounding makes identification impossible. Specifically, we cast causal effects as objective functions within a constrained optimization problem, and minimize/maximize these functions to obtain bounds. We combine flexible learning algorithms with Monte Carlo methods to implement a family of solutions under the name of stochastic causal programming. In particular, we show how the generic framework can be efficiently formulated in settings where auxiliary variables are clustered into pre-treatment and post-treatment sets, where no fine-grained causal graph can be easily specified. In these settings, we can avoid the need for fully specifying the distribution family of hidden common causes. Monte Carlo computation is also much simplified, leading to algorithms which are more computationally stable against alternatives.

In this technical report, we present our solution for the Baidu KDD Cup 2022 Spatial Dynamic Wind Power Forecasting Challenge. Wind power is a rapidly growing source of clean energy. Accurate wind power forecasting is essential for grid stability and the security of supply. Therefore, organizers provide a wind power dataset containing historical data from 134 wind turbines and launch the Baidu KDD Cup 2022 to examine the limitations of current methods for wind power forecasting. The average of RMSE (Root Mean Square Error) and MAE (Mean Absolute Error) is used as the evaluation score. We adopt two spatial-temporal graph neural network models, i.e., AGCRN and MTGNN, as our basic models. We train AGCRN by 5-fold cross-validation and additionally train MTGNN directly on the training and validation sets. Finally, we ensemble the two models based on the loss values of the validation set as our final submission. Using our method, our team \team achieves -45.36026 on the test set. We release our codes on Github (https://github.com/BUAABIGSCity/KDDCUP2022) for reproduction.

Learning nonparametric systems of Ordinary Differential Equations (ODEs) dot x = f(t,x) from noisy data is an emerging machine learning topic. We use the well-developed theory of Reproducing Kernel Hilbert Spaces (RKHS) to define candidates for f for which the solution of the ODE exists and is unique. Learning f consists of solving a constrained optimization problem in an RKHS. We propose a penalty method that iteratively uses the Representer theorem and Euler approximations to provide a numerical solution. We prove a generalization bound for the L2 distance between x and its estimator and provide experimental comparisons with the state-of-the-art.

A real-time stuck pipe prediction methodology is proposed in this paper. We assume early signs of stuck pipe to be apparent when the drilling data behavior deviates from that from normal drilling operations. The definition of normalcy changes with drill string configuration or geological conditions. Here, a depth-domain data representation is adopted to capture the localized normal behavior. Several models, based on auto-encoder and variational auto-encoders, are trained on regular drilling data extracted from actual drilling data. When the trained model is applied to data sets before stuck incidents, eight incidents showed large reconstruction errors. These results suggest better performance than the previously reported supervised approach. Inter-comparison of various models reveals the robustness of our approach. The model performance depends on the featured parameter suggesting the need for multiple models in actual operation.

Traditional anomaly detection methods aim to identify objects that deviate from most other objects by treating all features equally. In contrast, contextual anomaly detection methods aim to detect objects that deviate from other objects within a context of similar objects by dividing the features into contextual features and behavioral features. In this paper, we develop connections between dependency-based traditional anomaly detection methods and contextual anomaly detection methods. Based on resulting insights, we propose a novel approach to robust and inherently interpretable contextual anomaly detection that uses Quantile Regression Forests to model dependencies between features. Extensive experiments on various synthetic and real-world datasets demonstrate that our method outperforms state-of-the-art anomaly detection methods in identifying contextual anomalies in terms of accuracy and robustness.

Hyperspectral imaging has the potential to improve intraoperative decision making if tissue characterisation is performed in real-time and with high-resolution. Hyperspectral snapshot mosaic sensors offer a promising approach due to their fast acquisition speed and compact size. However, a demosaicking algorithm is required to fully recover the spatial and spectral information of the snapshot images. Most state-of-the-art demosaicking algorithms require ground-truth training data with paired snapshot and high-resolution hyperspectral images, but such imagery pairs with the exact same scene are physically impossible to acquire in intraoperative settings. In this work, we present a fully unsupervised hyperspectral image demosaicking algorithm which only requires exemplar snapshot images for training purposes. We regard hyperspectral demosaicking as an ill-posed linear inverse problem which we solve using a deep neural network. We take advantage of the spectral correlation occurring in natural scenes to design a novel inter spectral band regularisation term based on spatial gradient consistency. By combining our proposed term with standard regularisation techniques and exploiting a standard data fidelity term, we obtain an unsupervised loss function for training deep neural networks, which allows us to achieve real-time hyperspectral image demosaicking. Quantitative results on hyperspetral image datasets show that our unsupervised demosaicking approach can achieve similar performance to its supervised counter-part, and significantly outperform linear demosaicking. A qualitative user study on real snapshot hyperspectral surgical images confirms the results from the quantitative analysis. Our results suggest that the proposed unsupervised algorithm can achieve promising hyperspectral demosaicking in real-time thus advancing the suitability of the modality for intraoperative use.

In this paper, we propose energy-based sample adaptation at test time for domain generalization. Where previous works adapt their models to target domains, we adapt the unseen target samples to source-trained models. To this end, we design a discriminative energy-based model, which is trained on source domains to jointly model the conditional distribution for classification and data distribution for sample adaptation. The model is optimized to simultaneously learn a classifier and an energy function. To adapt target samples to source distributions, we iteratively update the samples by energy minimization with stochastic gradient Langevin dynamics. Moreover, to preserve the categorical information in the sample during adaptation, we introduce a categorical latent variable into the energy-based model. The latent variable is learned from the original sample before adaptation by variational inference and fixed as a condition to guide the sample update. Experiments on six benchmarks for classification of images and microblog threads demonstrate the effectiveness of our proposal.

Federated learning is a contemporary machine learning paradigm where locally trained models are distilled into a global model. Due to the intrinsic permutation invariance of neural networks, Probabilistic Federated Neural Matching (PFNM) employs a Bayesian nonparametric framework in the generation process of local neurons, and then creates a linear sum assignment formulation in each alternative optimization iteration. But according to our theoretical analysis, the optimization iteration in PFNM omits global information from existing. In this study, we propose a novel approach that overcomes this flaw by introducing a Kullback-Leibler divergence penalty at each iteration. The effectiveness of our approach is demonstrated by experiments on both image classification and semantic segmentation tasks.

Low-rank multivariate regression (LRMR) is an important statistical learning model that combines highly correlated tasks as a multiresponse regression problem with low-rank priori on the coefficient matrix. In this paper, we study quantized LRMR, a practical setting where the responses and/or the covariates are discretized to finite precision. We focus on the estimation of the underlying coefficient matrix. To make consistent estimator that could achieve arbitrarily small error possible, we employ uniform quantization with random dithering, i.e., we add appropriate random noise to the data before quantization. Specifically, uniform dither and triangular dither are used for responses and covariates, respectively. Based on the quantized data, we propose the constrained Lasso and regularized Lasso estimators, and derive the non-asymptotic error bounds. With the aid of dithering, the estimators achieve minimax optimal rate, while quantization only slightly worsens the multiplicative factor in the error rate. Moreover, we extend our results to a low-rank regression model with matrix responses. We corroborate and demonstrate our theoretical results via simulations on synthetic data or image restoration.

We study the problem of deployment efficient reinforcement learning (RL) with linear function approximation under the \emph{reward-free} exploration setting. This is a well-motivated problem because deploying new policies is costly in real-life RL applications. Under the linear MDP setting with feature dimension $d$ and planning horizon $H$, we propose a new algorithm that collects at most $\widetilde{O}(\frac{d^2H^5}{\epsilon^2})$ trajectories within $H$ deployments to identify $\epsilon$-optimal policy for any (possibly data-dependent) choice of reward functions. To the best of our knowledge, our approach is the first to achieve optimal deployment complexity and optimal $d$ dependence in sample complexity at the same time, even if the reward is known ahead of time. Our novel techniques include an exploration-preserving policy discretization and a generalized G-optimal experiment design, which could be of independent interest. Lastly, we analyze the related problem of regret minimization in low-adaptive RL and provide information-theoretic lower bounds for switching cost and batch complexity.

In this paper, we propose a feature affinity (FA) assisted knowledge distillation (KD) method to improve quantization-aware training of deep neural networks (DNN). The FA loss on intermediate feature maps of DNNs plays the role of teaching middle steps of a solution to a student instead of only giving final answers in the conventional KD where the loss acts on the network logits at the output level. Combining logit loss and FA loss, we found that the quantized student network receives stronger supervision than from the labeled ground-truth data. The resulting FAQD is capable of compressing model on label-free data, which brings immediate practical benefits as pre-trained teacher models are readily available and unlabeled data are abundant. In contrast, data labeling is often laborious and expensive. Finally, we propose a fast feature affinity (FFA) loss that accurately approximates FA loss with a lower order of computational complexity, which helps speed up training for high resolution image input.

The peer merit review of research proposals has been the major mechanism for deciding grant awards. However, research proposals have become increasingly interdisciplinary. It has been a longstanding challenge to assign interdisciplinary proposals to appropriate reviewers, so proposals are fairly evaluated. One of the critical steps in reviewer assignment is to generate accurate interdisciplinary topic labels for proposal-reviewer matching. Existing systems mainly collect topic labels manually generated by principal investigators. However, such human-reported labels can be non-accurate, incomplete, labor intensive, and time costly. What role can AI play in developing a fair and precise proposal reviewer assignment system? In this study, we collaborate with the National Science Foundation of China to address the task of automated interdisciplinary topic path detection. For this purpose, we develop a deep Hierarchical Interdisciplinary Research Proposal Classification Network (HIRPCN). Specifically, we first propose a hierarchical transformer to extract the textual semantic information of proposals. We then design an interdisciplinary graph and leverage GNNs for learning representations of each discipline in order to extract interdisciplinary knowledge. After extracting the semantic and interdisciplinary knowledge, we design a level-wise prediction component to fuse the two types of knowledge representations and detect interdisciplinary topic paths for each proposal. We conduct extensive experiments and expert evaluations on three real-world datasets to demonstrate the effectiveness of our proposed model.

In federated learning (FL), weighted aggregation of local models is conducted to generate a global model, and the aggregation weights are normalized (the sum of weights is 1) and proportional to the local data sizes. In this paper, we revisit the weighted aggregation process and gain new insights into the training dynamics of FL. First, we find that the sum of weights can be smaller than 1, causing global weight shrinking effect (analogous to weight decay) and improving generalization. We explore how the optimal shrinking factor is affected by clients' data heterogeneity and local epochs. Second, we dive into the relative aggregation weights among clients to depict the clients' importance. We develop client coherence to study the learning dynamics and find a critical point that exists. Before entering the critical point, more coherent clients play more essential roles in generalization. Based on the above insights, we propose an effective method for Federated Learning with Learnable Aggregation Weights, named as FedLAW. Extensive experiments verify that our method can improve the generalization of the global model by a large margin on different datasets and models.

Discrete Determinantal Point Processes (DPPs) have a wide array of potential applications for subsampling datasets. They are however held back in some cases by the high cost of sampling. In the worst-case scenario, the sampling cost scales as O(n^3) where n is the number of elements of the ground set. A popular workaround to this prohibitive cost is to sample DPPs defined by low-rank kernels. In such cases, the cost of standard sampling algorithms scales as O(np^2 + nm^2) where m is the (average) number of samples of the DPP (usually m 1000. The algorithm described here is a close variant of the standard algorithm for sampling continuous DPPs, and uses rejection sampling. In the specific case of projection DPPs, we also show that any additional sample can be drawn in time O(m^3 log m). Finally, an interesting by-product of the analysis is that a realisation from a DPP is typically contained in a subset of size O(m log m) formed using leverage score i.i.d. sampling.

The state of neural network pruning has been noticed to be unclear and even confusing for a while, largely due to "a lack of standardized benchmarks and metrics" [3]. To standardize benchmarks, first, we need to answer: what kind of comparison setup is considered fair? This basic yet crucial question has barely been clarified in the community, unfortunately. Meanwhile, we observe several papers have used (severely) sub-optimal hyper-parameters in pruning experiments, while the reason behind them is also elusive. These sub-optimal hyper-parameters further exacerbate the distorted benchmarks, rendering the state of neural network pruning even more obscure. Two mysteries in pruning represent such a confusing status: the performance-boosting effect of a larger finetuning learning rate, and the no-value argument of inheriting pretrained weights in filter pruning. In this work, we attempt to explain the confusing state of network pruning by demystifying the two mysteries. Specifically, (1) we first clarify the fairness principle in pruning experiments and summarize the widely-used comparison setups; (2) then we unveil the two pruning mysteries and point out the central role of network trainability, which has not been well recognized so far; (3) finally, we conclude the paper and give some concrete suggestions regarding how to calibrate the pruning benchmarks in the future. Code: https://github.com/mingsun-tse/why-the-state-of-pruning-so-confusing.

The goal of this technical note is to introduce a new finitetime analysis of tabular temporal difference (TD) learning based on discrete-time stochastic linear system models. TD-learning is a fundamental reinforcement learning (RL) algorithm to evaluate a given policy by estimating the corresponding value function for a Markov decision process. While there has been a series of successful works in theoretical analysis of TD-learning, it was not until recently that researchers found some guarantees on its statistical efficiency by developing finite-time error bounds. In this paper, we propose a unique control theoretic finitetime analysis of tabular TD-learning, which directly exploits discrete-time linear system models and standard notions in control communities. The proposed work provides new simple templates and additional insights for analysis of TD-learning and RL algorithms.

Most existing evaluations of explainable machine learning (ML) methods rely on simplifying assumptions or proxies that do not reflect real-world use cases; the handful of more robust evaluations on real-world settings have shortcomings in their design, resulting in limited conclusions of methods' real-world utility. In this work, we seek to bridge this gap by conducting a study that evaluates three popular explainable ML methods in a setting consistent with the intended deployment context. We build on a previous study on e-commerce fraud detection and make crucial modifications to its setup relaxing the simplifying assumptions made in the original work that departed from the deployment context. In doing so, we draw drastically different conclusions from the earlier work and find no evidence for the incremental utility of the tested methods in the task. Our results highlight how seemingly trivial experimental design choices can yield misleading conclusions, with lessons about the necessity of not only evaluating explainable ML methods using tasks, data, users, and metrics grounded in the intended deployment contexts but also developing methods tailored to specific applications. In addition, we believe the design of this experiment can serve as a template for future study designs evaluating explainable ML methods in other real-world contexts.

An increasing number of data science and machine learning problems rely on computation with tensors, which better capture the multi-way relationships and interactions of data than matrices. When tapping into this critical advantage, a key challenge is to develop computationally efficient and provably correct algorithms for extracting useful information from tensor data that are simultaneously robust to corruptions and ill-conditioning. This paper tackles tensor robust principal component analysis (RPCA), which aims to recover a low-rank tensor from its observations contaminated by sparse corruptions, under the Tucker decomposition. To minimize the computation and memory footprints, we propose to directly recover the low-dimensional tensor factors -- starting from a tailored spectral initialization -- via scaled gradient descent (ScaledGD), coupled with an iteration-varying thresholding operation to adaptively remove the impact of corruptions. Theoretically, we establish that the proposed algorithm converges linearly to the true low-rank tensor at a constant rate that is independent with its condition number, as long as the level of corruptions is not too large. Empirically, we demonstrate that the proposed algorithm achieves better and more scalable performance than state-of-the-art matrix and tensor RPCA algorithms through synthetic experiments and real-world applications.

Speech emotion recognition systems have high prediction latency because of the high computational requirements for deep learning models and low generalizability mainly because of the poor reliability of emotional measurements across multiple corpora. To solve these problems, we present a speech emotion recognition system based on a reductionist approach of decomposing and analyzing syllable-level features. Mel-spectrogram of an audio stream is decomposed into syllable-level components, which are then analyzed to extract statistical features. The proposed method uses formant attention, noise-gate filtering, and rolling normalization contexts to increase feature processing speed and tolerance to adversity. A set of syllable-level formant features is extracted and fed into a single hidden layer neural network that makes predictions for each syllable as opposed to the conventional approach of using a sophisticated deep learner to make sentence-wide predictions. The syllable level predictions help to achieve the real-time latency and lower the aggregated error in utterance level cross-corpus predictions. The experiments on IEMOCAP (IE), MSP-Improv (MI), and RAVDESS (RA) databases show that the method archives real-time latency while predicting with state-of-the-art cross-corpus unweighted accuracy of 47.6% for IE to MI and 56.2% for MI to IE.

One of the most critical issues in machine learning is the selection of appropriate hyper parameters for training models. Machine learning models may be able to reach the best training performance and may increase the ability to generalize using hyper parameter optimization (HPO) techniques. HPO is a popular topic that artificial intelligence studies have focused on recently and has attracted increasing interest. While the traditional methods developed for HPO include exhaustive search, grid search, random search, and Bayesian optimization; meta-heuristic algorithms are also employed as more advanced methods. Meta-heuristic algorithms search for the solution space where the solutions converge to the best combination to solve a specific problem. These algorithms test various scenarios and evaluate the results to select the best-performing combinations. In this study, classical methods, such as grid, random search and Bayesian optimization, and population-based algorithms, such as genetic algorithms and particle swarm optimization, are discussed in terms of the HPO. The use of related search algorithms is explained together with Python programming codes developed on packages such as Scikit-learn, Sklearn Genetic, and Optuna. The performance of the search algorithms is compared on a sample data set, and according to the results, the particle swarm optimization algorithm has outperformed the other algorithms.

Advances in the field of visual-language contrastive learning have made it possible for many downstream applications to be carried out efficiently and accurately by simply taking the dot product between image and text representations. One of the most representative approaches proposed recently known as CLIP has quickly garnered widespread adoption due to its effectiveness. CLIP is trained with an InfoNCE loss that takes into account both positive and negative samples to help learn a much more robust representation space. This paper however reveals that the common downstream practice of taking a dot product is only a zeroth-order approximation of the optimization goal, resulting in a loss of information during test-time. Intuitively, since the model has been optimized based on the InfoNCE loss, test-time procedures should ideally also be in alignment. The question lies in how one can retrieve any semblance of negative samples information during inference. We propose Distribution Normalization (DN), where we approximate the mean representation of a batch of test samples and use such a mean to represent what would be analogous to negative samples in the InfoNCE loss. DN requires no retraining or fine-tuning and can be effortlessly applied during inference. Extensive experiments on a wide variety of downstream tasks exhibit a clear advantage of DN over the dot product.

Atrial Fibrillation (AF) is characterized by disorganised electrical activity in the atria and is known to be sustained by the presence of regions of fibrosis (scars) or functional cellular remodeling, both of which may lead to areas of slow conduction. Estimating the effective conductivity of the myocardium and identifying regions of abnormal propagation is therefore crucial for the effective treatment of AF. We hypothesise that the spatial distribution of tissue conductivity can be directly inferred from an array of concurrently acquired contact electrograms (EGMs). We generate a dataset of simulated cardiac AP propagation using randomised scar distributions and a phenomenological cardiac model and calculate contact EGMs at various positions on the field. EGMs are enriched with noise extracted from biological data acquired in the lab. A deep neural network, based on a modified U-net architecture, is trained to estimate the location of the scar and quantify conductivity of the tissue with a Jaccard index of 91%. We adapt a wavelet-based surrogate testing analysis to confirm that the inferred conductivity distribution is an accurate representation of the ground truth input to the model. We find that the root mean square error (RMSE) between the ground truth and our predictions is significantly smaller ($p_{val}<0.01$) than the RMSE between the ground truth and surrogate samples.

Single-objective optimization algorithms search for the single highest-quality solution with respect to an objective. Quality diversity (QD) algorithms, such as Covariance Matrix Adaptation MAP-Elites (CMA-ME), search for a collection of solutions that are both high-quality with respect to an objective and diverse with respect to specified measure functions. However, CMA-ME suffers from three major limitations highlighted by the QD community: prematurely abandoning the objective in favor of exploration, struggling to explore flat objectives, and having poor performance for low-resolution archives. We propose a new quality diversity algorithm, Covariance Matrix Adaptation MAP-Annealing (CMA-MAE), that addresses all three limitations. We provide theoretical justifications for the new algorithm with respect to each limitation. Our theory informs our experiments, which support the theory and show that CMA-MAE achieves state-of-the-art performance.

We introduce CQnet, a neural network with origins in the CQ algorithm for solving convex split-feasibility problems and forward-backward splitting. CQnet's trajectories are interpretable as particles that are tracking a changing constraint set via its point-to-set distance function while being elements of another constraint set at every layer. More than just a convex-geometric interpretation, CQnet accommodates learned and deterministic constraints that may be sample or data-specific and are satisfied by every layer and the output. Furthermore, the states in CQnet progress toward another constraint set at every layer. We provide proof of stability/nonexpansiveness with minimal assumptions. The combination of constraint handling and stability put forward CQnet as a candidate for various tasks where prior knowledge exists on the network states or output.

Downlink massive multiple-input multiple-output (MIMO) precoding algorithms in frequency division duplexing (FDD) systems rely on accurate channel state information (CSI) feedback from users. In this paper, we analyze the tradeoff between the CSI feedback overhead and the performance achieved by the users in systems in terms of achievable rate. The final goal of the proposed system is to determine the beamforming information (i.e., precoding) from channel realizations. We employ a deep learning-based approach to design the end-to-end precoding-oriented feedback architecture, that includes learned pilots, users' compressors, and base station processing. We propose a loss function that maximizes the sum of achievable rates with minimal feedback overhead. Simulation results show that our approach outperforms previous precoding-oriented methods, and provides more efficient solutions with respect to conventional methods that separate the CSI compression blocks from the precoding processing.

In this paper, we develop a novel regularization method for deep neural networks by penalizing the trace of Hessian. This regularizer is motivated by a recent guarantee bound of the generalization error. We explain its benefits in finding flat minima and avoiding Lyapunov stability in dynamical systems. We adopt the Hutchinson method as a classical unbiased estimator for the trace of a matrix and further accelerate its calculation using a dropout scheme. Experiments demonstrate that our method outperforms existing regularizers and data augmentation methods, such as Jacobian, Confidence Penalty, Label Smoothing, Cutout, and Mixup.

Machine Learning (ML) techniques facilitate automating malicious software (malware for short) detection, but suffer from evasion attacks. Many researchers counter such attacks in heuristic manners short of both theoretical guarantees and defense effectiveness. We hence propose a new adversarial training framework, termed Principled Adversarial Malware Detection (PAD), which encourages convergence guarantees for robust optimization methods. PAD lays on a learnable convex measurement that quantifies distribution-wise discrete perturbations and protects the malware detector from adversaries, by which for smooth detectors, adversarial training can be performed heuristically with theoretical treatments. To promote defense effectiveness, we propose a new mixture of attacks to instantiate PAD for enhancing the deep neural network-based measurement and malware detector. Experimental results on two Android malware datasets demonstrate: (i) the proposed method significantly outperforms the state-of-the-art defenses; (ii) it can harden the ML-based malware detection against 27 evasion attacks with detection accuracies greater than 83.45%, while suffering an accuracy decrease smaller than 2.16% in the absence of attacks; (iii) it matches or outperforms many anti-malware scanners in VirusTotal service against realistic adversarial malware.

We study the stochastic contextual bandit with knapsacks (CBwK) problem, where each action, taken upon a context, not only leads to a random reward but also costs a random resource consumption in a vector form. The challenge is to maximize the total reward without violating the budget for each resource. We study this problem under a general realizability setting where the expected reward and expected cost are functions of contexts and actions in some given general function classes $\mathcal{F}$ and $\mathcal{G}$, respectively. Existing works on CBwK are restricted to the linear function class since they use UCB-type algorithms, which heavily rely on the linear form and thus are difficult to extend to general function classes. Motivated by online regression oracles that have been successfully applied to contextual bandits, we propose the first universal and optimal algorithmic framework for CBwK by reducing it to online regression. We also establish the lower regret bound to show the optimality of our algorithm for a variety of function classes.

Embedding-based Retrieval (EBR) in e-commerce search is a powerful search retrieval technique to address semantic matches between search queries and products. However, commercial search engines like Facebook Marketplace Search are complex multi-stage systems optimized for multiple business objectives. At Facebook Marketplace, search retrieval focuses on matching search queries with relevant products, while search ranking puts more emphasis on contextual signals to up-rank the more engaging products. As a result, the end-to-end searcher experience is a function of both relevance and engagement, and the interaction between different stages of the system. This presents challenges to EBR systems in order to optimize for better searcher experiences. In this paper we presents Que2Engage, a search EBR system built towards bridging the gap between retrieval and ranking for end-to-end optimizations. Que2Engage takes a multimodal & multitask approach to infuse contextual information into the retrieval stage and to balance different business objectives. We show the effectiveness of our approach via a multitask evaluation framework and thorough baseline comparisons and ablation studies. Que2Engage is deployed on Facebook Marketplace Search and shows significant improvements in searcher engagement in two weeks of A/B testing.

Linear partial differential equations (PDEs) are an important, widely applied class of mechanistic models, describing physical processes such as heat transfer, electromagnetism, and wave propagation. In practice, specialized numerical methods based on discretization are used to solve PDEs. They generally use an estimate of the unknown model parameters and, if available, physical measurements for initialization. Such solvers are often embedded into larger scientific models with a downstream application such that error quantification plays a key role. However, by ignoring parameter and measurement uncertainty, classical PDE solvers may fail to produce consistent estimates of their inherent approximation error. In this work, we approach this problem in a principled fashion by interpreting solving linear PDEs as physics-informed Gaussian process (GP) regression. Our framework is based on a key generalization of a widely-applied theorem for conditioning GPs on direct measurements to observations made via an arbitrary bounded linear operator. Crucially, this probabilistic viewpoint allows to (1) quantify the inherent discretization error; (2) propagate uncertainty about the model parameters to the solution; and (3) condition on noisy measurements. Demonstrating the strength of this formulation, we prove that it strictly generalizes methods of weighted residuals, a central class of PDE solvers including collocation, finite volume, pseudospectral, and (generalized) Galerkin methods such as finite element and spectral methods. This class can thus be directly equipped with a structured error estimate. In summary, our results enable the seamless integration of mechanistic models as modular building blocks into probabilistic models by blurring the boundaries between numerical analysis and Bayesian inference.

Many fishing vessels use forced labor, but identifying vessels that engage in this practice is challenging because few are regularly inspected. We developed a positive-unlabeled learning algorithm using vessel characteristics and movement patterns to estimate an upper bound of the number of positive cases of forced labor, with the goal of helping make accurate, responsible, and fair decisions. 89% of the reported cases of forced labor were correctly classified as positive (recall) while 98% of the vessels certified as having decent working conditions were correctly classified as negative. The recall was high for vessels from different regions using different gears, except for trawlers. We found that as much as ~28% of vessels may operate using forced labor, with the fraction much higher in squid jiggers and longlines. This model could inform risk-based port inspections as part of a broader monitoring, control, and surveillance regime to reduce forced labor. * Translated versions of the English title and abstract are available in five languages in S1 Text: Spanish, French, Simplified Chinese, Traditional Chinese, and Indonesian.  ( 2 min )

Speaker diarization is a task to label an audio or video recording with the identity of the speaker at each given time stamp. In this work, we propose a novel machine learning framework to conduct real-time multi-speaker diarization and recognition without prior registration and pretraining in a fully online and reinforcement learning setting. Our framework combines embedding extraction, clustering, and resegmentation into the same problem as an online decision-making problem. We discuss practical considerations and advanced techniques such as the offline reinforcement learning, semi-supervision, and domain adaptation to address the challenges of limited training data and out-of-distribution environments. Our approach considers speaker diarization as a fully online learning problem of the speaker recognition task, where the agent receives no pretraining from any training set before deployment, and learns to detect speaker identity on the fly through reward feedbacks. The paradigm of the reinforcement learning approach to speaker diarization presents an adaptive, lightweight, and generalizable system that is useful for multi-user teleconferences, where many people might come and go without extensive pre-registration ahead of time. Lastly, we provide a desktop application that uses our proposed approach as a proof of concept. To the best of our knowledge, this is the first approach to apply a reinforcement learning approach to the speaker diarization task.  ( 2 min )

Diabetic retinopathy (DR) is a leading cause of blindness worldwide. Early diagnosis is essential in the treatment of diabetes and can assist in preventing vision impairment. Since manual annotation of medical images is time-consuming, costly, and prone to subjectivity that leads to inconsistent diagnoses, several deep learning segmentation approaches have been proposed to address these challenges. However, these networks often rely on simple loss functions, such as binary cross entropy (BCE), which may not be sophisticated enough to effectively segment lesions such as those present in DR. In this paper, we propose a loss function that incorporates a global segmentation loss, a patch-wise density loss, and a patch-wise edge-aware loss to improve the performance of these networks on the detection and segmentation of hard exudates. Comparing our proposed loss function against the BCE loss on several state-of-the-art networks, our experimental results reveal substantial improvement in network performance achieved by incorporating the patch-wise contrastive loss.  ( 2 min )

Many methods for time-series forecasting are known in classical statistics, such as autoregression, moving averages, and exponential smoothing. The DeepAR framework is a novel, recent approach for time-series forecasting based on deep learning. DeepAR has shown very promising results already. However, time series often have change points, which can degrade the DeepAR's prediction performance substantially. This paper extends the DeepAR framework by detecting and including those change points. We show that our method performs as well as standard DeepAR when there are no change points and considerably better when there are change points. More generally, we show that the batch size provides an effective and surprisingly simple way to deal with change points in DeepAR, Transformers, and other modern forecasting models.  ( 2 min )

Open domain conversational agents can answer a broad range of targeted queries. However, the sequential nature of interaction with these systems makes knowledge exploration a lengthy task which burdens the user with asking a chain of well phrased questions. In this paper, we present a retrieval based system and associated dataset for predicting the next questions that the user might have. Such a system can proactively assist users in knowledge exploration leading to a more engaging dialog. The retrieval system is trained on a dataset which contains ~14K multi-turn information-seeking conversations with a valid follow-up question and a set of invalid candidates. The invalid candidates are generated to simulate various syntactic and semantic confounders such as paraphrases, partial entity match, irrelevant entity, and ASR errors. We use confounder specific techniques to simulate these negative examples on the OR-QuAC dataset and develop a dataset called the Follow-up Query Bank (FQ-Bank). Then, we train ranking models on FQ-Bank and present results comparing supervised and unsupervised approaches. The results suggest that we can retrieve the valid follow-ups by ranking them in higher positions compared to confounders, but further knowledge grounding can improve ranking performance.  ( 2 min )

Speech enhancement (SE) is proved effective in reducing noise from noisy speech signals for downstream automatic speech recognition (ASR), where multi-task learning strategy is employed to jointly optimize these two tasks. However, the enhanced speech learned by SE objective may not always yield good ASR results. From the optimization view, there sometimes exists interference between the gradients of SE and ASR tasks, which could hinder the multi-task learning and finally lead to sub-optimal ASR performance. In this paper, we propose a simple yet effective approach called gradient remedy (GR) to solve interference between task gradients in noise-robust speech recognition, from perspectives of both angle and magnitude. Specifically, we first project the SE task's gradient onto a dynamic surface that is at acute angle to ASR gradient, in order to remove the conflict between them and assist in ASR optimization. Furthermore, we adaptively rescale the magnitude of two gradients to prevent the dominant ASR task from being misled by SE gradient. Experimental results show that the proposed approach well resolves the gradient interference and achieves relative word error rate (WER) reductions of 9.3% and 11.1% over multi-task learning baseline, on RATS and CHiME-4 datasets, respectively. Our code is available at GitHub.  ( 2 min )

Data-to-text (D2T) and text-to-data (T2D) are dual tasks that convert structured data, such as graphs or tables into fluent text, and vice versa. These tasks are usually handled separately and use corpora extracted from a single source. Current systems leverage pre-trained language models fine-tuned on D2T or T2D tasks. This approach has two main limitations: first, a separate system has to be tuned for each task and source; second, learning is limited by the scarcity of available corpora. This paper considers a more general scenario where data are available from multiple heterogeneous sources. Each source, with its specific data format and semantic domain, provides a non-parallel corpus of text and structured data. We introduce a variational auto-encoder model with disentangled style and content variables that allows us to represent the diversity that stems from multiple sources of text and data. Our model is designed to handle the tasks of D2T and T2D jointly. We evaluate our model on several datasets, and show that by learning from multiple sources, our model closes the performance gap with its supervised single-source counterpart and outperforms it in some cases.  ( 2 min )

Image classification with deep neural networks has reached state-of-art with high accuracy. This success is attributed to good internal representation features that bypasses the difficulties of the non-convex optimization problems. We have little understanding of these internal representations, let alone quantifying them. Recent research efforts have focused on alternative theories and explanations of the generalizability of these deep networks. We propose the alternative perturbation of deep models during their training induces changes that lead to transitions to different families. The result is an Anna Karenina Principle AKP for deep learning, in which less generalizable models unhappy families vary more in their representation than more generalizable models happy families paralleling Leo Tolstoy dictum that all happy families look alike, each unhappy family is unhappy in its own way. Anna Karenina principle has been found in systems in a wide range: from the surface of endangered corals exposed to harsh weather to the lungs of patients suffering from fatal diseases of AIDs. In our paper, we have generated artificial perturbations to our model by hot-swapping the activation and loss functions during the training. In this paper, we build a model to classify cancer cells from non-cancer ones. We give theoretical proof that the internal representations of generalizable happy models are similar in the asymptotic limit. Our experiments verify similar representations of generalizable models.  ( 2 min )

Recurrent Neural Networks (RNNs) have become an integral part of modeling and forecasting frameworks in areas like natural language processing and high-dimensional dynamical systems such as turbulent fluid flows. To improve the accuracy of predictions, RNNs are trained using the Backpropagation Through Time (BPTT) method to minimize prediction loss. During testing, RNNs are often used in autoregressive scenarios where the output of the network is fed back into the input. However, this can lead to the exposure bias effect, as the network was trained to receive ground-truth data instead of its own predictions. This mismatch between training and testing is compounded when the state distributions are different, and the train and test losses are measured. To address this, previous studies have proposed solutions for language processing networks with probabilistic predictions. Building on these advances, we propose the Scheduled Autoregressive BPTT (BPTT-SA) algorithm for predicting complex systems. Our results show that BPTT-SA effectively reduces iterative error propagation in Convolutional RNNs and Convolutional Autoencoder RNNs, and demonstrate its capabilities in long-term prediction of high-dimensional fluid flows.  ( 2 min )

The classical algorithms used in tabular reinforcement learning (Value Iteration and Policy Iteration) have been shown to converge linearly with a rate given by the discount factor $\gamma$ of a discounted Markov Decision Process. Recently, there has been an increased interest in the study of gradient based methods. In this work, we show that the dimension-free linear $\gamma$-rate of classical reinforcement learning algorithms can be achieved by a general family of unregularised Policy Mirror Descent (PMD) algorithms under an adaptive step-size. We also provide a matching worst-case lower-bound that demonstrates that the $\gamma$-rate is optimal for PMD methods. Our work offers a novel perspective on the convergence of PMD. We avoid the use of the performance difference lemma beyond establishing the monotonic improvement of the iterates, which leads to a simple analysis that may be of independent interest. We also extend our analysis to the inexact setting and establish the first dimension-free $\varepsilon$-optimal sample complexity for unregularised PMD under a generative model, improving upon the best-known result.  ( 2 min )

A wide breadth of research has devised data augmentation approaches that can improve both accuracy and generalization performance for neural networks. However, augmented data can end up being far from the clean training data and what is the appropriate label is less clear. Despite this, most existing work simply uses one-hot labels for augmented data. In this paper, we show re-using one-hot labels for highly distorted data might run the risk of adding noise and degrading accuracy and calibration. To mitigate this, we propose a generic method AutoLabel to automatically learn the confidence in the labels for augmented data, based on the transformation distance between the clean distribution and augmented distribution. AutoLabel is built on label smoothing and is guided by the calibration-performance over a hold-out validation set. We successfully apply AutoLabel to three different data augmentation techniques: the state-of-the-art RandAug, AugMix, and adversarial training. Experiments on CIFAR-10, CIFAR-100 and ImageNet show that AutoLabel significantly improves existing data augmentation techniques over models' calibration and accuracy, especially under distributional shift.  ( 2 min )

Understanding how subsets of items are chosen from offered sets is critical to assortment planning, wireless network planning, and many other applications. There are two seemingly unrelated subset choice models that capture dependencies between items: intuitive and interpretable random utility models; and tractable determinantal point processes (DPPs). This paper connects the two. First, all DPPs are shown to be random utility models. Next, a determinantal choice model that enjoys the best of both worlds is specified; the model is shown to subsume logistic regression when dependence is minimal, and MNL when dependence is maximally negative. This makes the model interpretable, while retaining the tractability of DPPs. A simulation study verifies that the model can learn a continuum of negative dependencies from data, and an applied study using original experimental data produces novel insights on wireless interference in LoRa networks.  ( 2 min )

Optimizing molecular design and discovering novel chemical structures to meet certain objectives, such as quantitative estimates of the drug-likeness score (QEDs), is NP-hard due to the vast combinatorial design space of discrete molecular structures, which makes it near impossible to explore the entire search space comprehensively to exploit de novo structures with properties of interest. To address this challenge, reducing the intractable search space into a lower-dimensional latent volume helps examine molecular candidates more feasibly via inverse design. Autoencoders are suitable deep learning techniques, equipped with an encoder that reduces the discrete molecular structure into a latent space and a decoder that inverts the search space back to the molecular design. The continuous property of the latent space, which characterizes the discrete chemical structures, provides a flexible representation for inverse design in order to discover novel molecules. However, exploring this latent space requires certain insights to generate new structures. We propose using a convex hall surrounding the top molecules in terms of high QEDs to ensnare a tight subspace in the latent representation as an efficient way to reveal novel molecules with high QEDs. We demonstrate the effectiveness of our suggested method by using the QM9 as a training dataset along with the Self- Referencing Embedded Strings (SELFIES) representation to calibrate the autoencoder in order to carry out the Inverse molecular design that leads to unfold novel chemical structure.  ( 2 min )

Diffractive optical neural networks (DONNs) have been emerging as a high-throughput and energy-efficient hardware platform to perform all-optical machine learning (ML) in machine vision systems. However, the current demonstrated applications of DONNs are largely straightforward image classification tasks, which undermines the prospect of developing and utilizing such hardware for other ML applications. Here, we numerically and experimentally demonstrate the deployment of an all-optical reconfigurable DONNs system for scientific computing, including guiding two-dimensional quantum material synthesis, predicting the properties of nanomaterials and small molecular cancer drugs, predicting the device response of nanopatterned integrated photonic power splitters, and the dynamic stabilization of an inverted pendulum with reinforcement learning. Despite a large variety of input data structures, we develop a universal feature engineering approach to convert categorical input features to the images that can be processed in the DONNs system. Our results open up new opportunities of employing DONNs systems for a broad range of ML applications.  ( 2 min )

Collaborative filtering (CF) based recommender systems are typically trained based on personal interaction data (e.g., clicks and purchases) that could be naturally represented as ego graphs. However, most existing recommendation methods collect these ego graphs from all users to compose a global graph to obtain high-order collaborative information between users and items, and these centralized CF recommendation methods inevitably lead to a high risk of user privacy leakage. Although recently proposed federated recommendation systems can mitigate the privacy problem, they either restrict the on-device local training to an isolated ego graph or rely on an additional third-party server to access other ego graphs resulting in a cumbersome pipeline, which is hard to work in practice. In addition, existing federated recommendation systems require resource-limited devices to maintain the entire embedding tables resulting in high communication costs. In light of this, we propose a semi-decentralized federated ego graph learning framework for on-device recommendations, named SemiDFEGL, which introduces new device-to-device collaborations to improve scalability and reduce communication costs and innovatively utilizes predicted interacted item nodes to connect isolated ego graphs to augment local subgraphs such that the high-order user-item collaborative information could be used in a privacy-preserving manner. Furthermore, the proposed framework is model-agnostic, meaning that it could be seamlessly integrated with existing graph neural network-based recommendation methods and privacy protection techniques. To validate the effectiveness of the proposed SemiDFEGL, extensive experiments are conducted on three public datasets, and the results demonstrate the superiority of the proposed SemiDFEGL compared to other federated recommendation methods.  ( 2 min )

The Nystr\"{o}m method is an effective tool to generate low-rank approximations of large matrices, and it is particularly useful for kernel-based learning. To improve the standard Nystr\"{o}m approximation, ensemble Nystr\"{o}m algorithms compute a mixture of Nystr\"{o}m approximations which are generated independently based on column resampling. We propose a new family of algorithms, boosting Nystr\"{o}m, which iteratively generate multiple ``weak'' Nystr\"{o}m approximations (each using a small number of columns) in a sequence adaptively - each approximation aims to compensate for the weaknesses of its predecessor - and then combine them to form one strong approximation. We demonstrate that our boosting Nystr\"{o}m algorithms can yield more efficient and accurate low-rank approximations to kernel matrices. Improvements over the standard and ensemble Nystr\"{o}m methods are illustrated by simulation studies and real-world data analysis.  ( 2 min )

Offline reinforcement learning (RL) is a challenging setting where existing off-policy actor-critic methods perform poorly due to the overestimation of out-of-distribution state-action pairs. Thus, various additional augmentations are proposed to keep the learned policy close to the offline dataset (or the behavior policy). In this work, starting from the analysis of offline monotonic policy improvement, we get a surprising finding that some online on-policy algorithms are naturally able to solve offline RL. Specifically, the inherent conservatism of these on-policy algorithms is exactly what the offline RL method needs to overcome the overestimation. Based on this, we propose Behavior Proximal Policy Optimization (BPPO), which solves offline RL without any extra constraint or regularization introduced compared to PPO. Extensive experiments on the D4RL benchmark indicate this extremely succinct method outperforms state-of-the-art offline RL algorithms. Our implementation is available at https://github.com/Dragon-Zhuang/BPPO.  ( 2 min )

We investigate the robustness of vision transformers (ViTs) through the lens of their special patch-based architectural structure, i.e., they process an image as a sequence of image patches. We find that ViTs are surprisingly insensitive to patch-based transformations, even when the transformation largely destroys the original semantics and makes the image unrecognizable by humans. This indicates that ViTs heavily use features that survived such transformations but are generally not indicative of the semantic class to humans. Further investigations show that these features are useful but non-robust, as ViTs trained on them can achieve high in-distribution accuracy, but break down under distribution shifts. From this understanding, we ask: can training the model to rely less on these features improve ViT robustness and out-of-distribution performance? We use the images transformed with our patch-based operations as negatively augmented views and offer losses to regularize the training away from using non-robust features. This is a complementary view to existing research that mostly focuses on augmenting inputs with semantic-preserving transformations to enforce models' invariance. We show that patch-based negative augmentation consistently improves robustness of ViTs across a wide set of ImageNet based robustness benchmarks. Furthermore, we find our patch-based negative augmentation are complementary to traditional (positive) data augmentation, and together boost the performance further.  ( 2 min )

Building an accurate load forecasting model with minimal underpredictions is vital to prevent any undesired power outages due to underproduction of electricity. However, the power consumption patterns of the residential sector contain fluctuations and anomalies making them challenging to predict. In this paper, we propose multiple Long Short-Term Memory (LSTM) frameworks with different asymmetric loss functions to impose a higher penalty on underpredictions. We also apply a density-based spatial clustering of applications with noise (DBSCAN) anomaly detection approach, prior to the load forecasting task, to remove any present oultiers. Considering the effect of weather and social factors, seasonality splitting is performed on the three considered datasets from France, Germany, and Hungary containing hourly power consumption, weather, and calendar features. Root-mean-square error (RMSE) results show that removing the anomalies efficiently reduces the underestimation and overestimation errors in all the seasonal datasets. Additionally, asymmetric loss functions and seasonality splitting effectively minimize underestimations despite increasing the overestimation error to some degree. Reducing underpredictions of electricity consumption is essential to prevent power outages that can be damaging to the community.

Interpreting deep neural networks is the topic of much current research in AI. However, few interpretability techniques have shown to be competitive tools in practical applications. Inspired by how benchmarks tend to guide progress in AI, we make three contributions. First, we propose trojan rediscovery as a benchmarking task to evaluate how useful interpretability tools are for generating engineering-relevant insights. Second, we design two such approaches for benchmarking: one for feature attribution methods and one for feature synthesis methods. Third, we apply our benchmarks to evaluate 16 feature attribution/saliency methods and 9 feature synthesis methods. This approach finds large differences in the capabilities of these existing tools and shows significant room for improvement. Finally, we propose several directions for future work. Resources are available at https://github.com/thestephencasper/benchmarking_interpretability

We study the Combinatorial Thompson Sampling policy (CTS) for combinatorial multi-armed bandit problems (CMAB), within an approximation regret setting. Although CTS has attracted a lot of interest, it has a drawback that other usual CMAB policies do not have when considering non-exact oracles: for some oracles, CTS has a poor approximation regret (scaling linearly with the time horizon $T$) [Wang and Chen, 2018]. A study is then necessary to discriminate the oracles on which CTS could learn. This study was started by Kong et al. [2021]: they gave the first approximation regret analysis of CTS for the greedy oracle, obtaining an upper bound of order $\mathcal{O}(\log(T)/\Delta^2)$, where $\Delta$ is some minimal reward gap. In this paper, our objective is to push this study further than the simple case of the greedy oracle. We provide the first $\mathcal{O}(\log(T)/\Delta)$ approximation regret upper bound for CTS, obtained under a specific condition on the approximation oracle, allowing a reduction to the exact oracle analysis. We thus term this condition REDUCE2EXACT, and observe that it is satisfied in many concrete examples. Moreover, it can be extended to the probabilistically triggered arms setting, thus capturing even more problems, such as online influence maximization.  ( 2 min )

Deep learning (DL) along with never-ending advancements in computational processing and cloud technologies have bestowed us powerful analyzing tools and techniques in the past decade and enabled us to use and apply them in various fields of study. Health informatics is not an exception, and conversely, is the discipline that generates the most amount of data in today's era and can benefit from DL the most. Extracting features and finding complex patterns from a huge amount of raw data and transforming them into knowledge is a challenging task. Besides, various DL architectures have been proposed by researchers throughout the years to tackle different problems. In this paper, we provide a review of DL models and their broad application in bioinformatics and healthcare categorized by their architecture. In addition, we also go over some of the key challenges that still exist and can show up while conducting DL research.  ( 2 min )

Multi-modal machine learning (MMML), which involves integrating multiple modalities of data and their corresponding processing methods, has demonstrated promising results in various practical applications, such as text-to-image translation. This review paper summarizes the recent progress and challenges in using MMML for engineering design tasks. First, we introduce the different data modalities commonly used as design representations and involved in MMML, including text, 2D pixel data (e.g., images and sketches), and 3D shape data (e.g., voxels, point clouds, and meshes). We then provide an overview of the various approaches and techniques used for representing, fusing, aligning, synthesizing, and co-learning multi-modal data as five fundamental concepts of MMML. Next, we review the state-of-the-art capabilities of MMML that potentially apply to engineering design tasks, including design knowledge retrieval, design evaluation, and design synthesis. We also highlight the potential benefits and limitations of using MMML in these contexts. Finally, we discuss the challenges and future directions in using MMML for engineering design, such as the need for large labeled multi-modal design datasets, robust and scalable algorithms, integrating domain knowledge, and handling data heterogeneity and noise. Overall, this review paper provides a comprehensive overview of the current state and prospects of MMML for engineering design applications.  ( 2 min )

The current certification process for aerospace software is not adapted to "AI-based" algorithms such as deep neural networks. Unlike traditional aerospace software, the precise parameters optimized during neural network training are as important as (or more than) the code processing the network and they are not directly mathematically understandable. Despite their lack of explainability such algorithms are appealing because for some applications they can exhibit high performance unattainable with any traditional explicit line-by-line software methods. This paper proposes a framework and principles that could be used to establish certification methods for neural network models for which the current certification processes such as DO-178 cannot be applied. While it is not a magic recipe, it is a set of common sense steps that will allow the applicant and the regulator increase their confidence in the developed software, by demonstrating the capabilities to bring together, trace, and track the requirements, data, software, training process, and test results.  ( 2 min )

Dataset biases are notoriously detrimental to model robustness and generalization. The identify-emphasize paradigm appears to be effective in dealing with unknown biases. However, we discover that it is still plagued by two challenges: A, the quality of the identified bias-conflicting samples is far from satisfactory; B, the emphasizing strategies only produce suboptimal performance. In this paper, for challenge A, we propose an effective bias-conflicting scoring method (ECS) to boost the identification accuracy, along with two practical strategies -- peer-picking and epoch-ensemble. For challenge B, we point out that the gradient contribution statistics can be a reliable indicator to inspect whether the optimization is dominated by bias-aligned samples. Then, we propose gradient alignment (GA), which employs gradient statistics to balance the contributions of the mined bias-aligned and bias-conflicting samples dynamically throughout the learning process, forcing models to leverage intrinsic features to make fair decisions. Furthermore, we incorporate self-supervised (SS) pretext tasks into training, which enable models to exploit richer features rather than the simple shortcuts, resulting in more robust models. Experiments are conducted on multiple datasets in various settings, demonstrating that the proposed solution can mitigate the impact of unknown biases and achieve state-of-the-art performance.  ( 2 min )

We propose a novel model-based offline Reinforcement Learning (RL) framework, called Adversarial Model for Offline Reinforcement Learning (ARMOR), which can robustly learn policies to improve upon an arbitrary reference policy regardless of data coverage. ARMOR is designed to optimize policies for the worst-case performance relative to the reference policy through adversarially training a Markov decision process model. In theory, we prove that ARMOR, with a well-tuned hyperparameter, can compete with the best policy within data coverage when the reference policy is supported by the data. At the same time, ARMOR is robust to hyperparameter choices: the policy learned by ARMOR, with "any" admissible hyperparameter, would never degrade the performance of the reference policy, even when the reference policy is not covered by the dataset. To validate these properties in practice, we design a scalable implementation of ARMOR, which by adversarial training, can optimize policies without using model ensembles in contrast to typical model-based methods. We show that ARMOR achieves competent performance with both state-of-the-art offline model-free and model-based RL algorithms and can robustly improve the reference policy over various hyperparameter choices.  ( 2 min )

Deep active learning has emerged as a powerful tool for training deep learning models within a predefined labeling budget. These models have achieved performances comparable to those trained in an offline setting. However, deep active learning faces substantial issues when dealing with classification datasets containing noisy labels. In this literature review, we discuss the current state of deep active learning in the presence of label noise, highlighting unique approaches, their strengths, and weaknesses. With the recent success of vision transformers in image classification tasks, we provide a brief overview and consider how the transformer layers and attention mechanisms can be used to enhance diversity, importance, and uncertainty-based selection in queries sent to an oracle for labeling. We further propose exploring contrastive learning methods to derive good image representations that can aid in selecting high-value samples for labeling in an active learning setting. We also highlight the need for creating unified benchmarks and standardized datasets for deep active learning in the presence of label noise for image classification to promote the reproducibility of research. The review concludes by suggesting avenues for future research in this area.  ( 2 min )

Orcinus orca (killer whales) exhibit complex calls. They last about a second. In a call, an orca typically uses multiple frequencies simultaneously, varies the frequencies, and varies their volumes. Behavior data is hard to obtain because orcas live under water and travel quickly. Sound data is relatively easy to capture. As a science goal, we would like to know whether orca vocalizations constitute a semantic language. We do this by studying whether machine learning can predict behavior from vocalizations. Such prediction would also help scientific research and safety applications because one would like to predict behavior while only having to capture sound. A significant challenge in this process is lack of labeled data. We work with recent recordings of McMurdo Sound orcas [Wellard et al. 2020] where each recording is labeled with the behaviors observed during the recording. This yields a dataset where sound segments - continuous vocalizations that can be thought of as call sequences or more general structures - within the recordings are labeled with superfluous behaviors. Despite that, with a careful combination of recent machine learning techniques, we achieve 96.4% classification accuracy. This suggests that orcas do use a semantic language. It is also promising for research and applications.  ( 2 min )

Receiver Operating Characteristic (ROC) curves are plots of true positive rate versus false positive rate which are used to evaluate binary classification algorithms. Because the Area Under the Curve (AUC) is a constant function of the predicted values, learning algorithms instead optimize convex relaxations which involve a sum over all pairs of labeled positive and negative examples. Naive learning algorithms compute the gradient in quadratic time, which is too slow for learning using large batch sizes. We propose a new functional representation of the square loss and squared hinge loss, which results in algorithms that compute the gradient in either linear or log-linear time, and makes it possible to use gradient descent learning with large batch sizes. In our empirical study of supervised binary classification problems, we show that our new algorithm can achieve higher test AUC values on imbalanced data sets than previous algorithms, and make use of larger batch sizes than were previously feasible.  ( 2 min )

This paper introduces Teachable Reality, an augmented reality (AR) prototyping tool for creating interactive tangible AR applications with arbitrary everyday objects. Teachable Reality leverages vision-based interactive machine teaching (e.g., Teachable Machine), which captures real-world interactions for AR prototyping. It identifies the user-defined tangible and gestural interactions using an on-demand computer vision model. Based on this, the user can easily create functional AR prototypes without programming, enabled by a trigger-action authoring interface. Therefore, our approach allows the flexibility, customizability, and generalizability of tangible AR applications that can address the limitation of current marker-based approaches. We explore the design space and demonstrate various AR prototypes, which include tangible and deformable interfaces, context-aware assistants, and body-driven AR applications. The results of our user study and expert interviews confirm that our approach can lower the barrier to creating functional AR prototypes while also allowing flexible and general-purpose prototyping experiences.  ( 2 min )

The bulk of existing research in defending against adversarial examples focuses on defending against a single (typically bounded Lp-norm) attack, but for a practical setting, machine learning (ML) models should be robust to a wide variety of attacks. In this paper, we present the first unified framework for considering multiple attacks against ML models. Our framework is able to model different levels of learner's knowledge about the test-time adversary, allowing us to model robustness against unforeseen attacks and robustness against unions of attacks. Using our framework, we present the first leaderboard, MultiRobustBench, for benchmarking multiattack evaluation which captures performance across attack types and attack strengths. We evaluate the performance of 16 defended models for robustness against a set of 9 different attack types, including Lp-based threat models, spatial transformations, and color changes, at 20 different attack strengths (180 attacks total). Additionally, we analyze the state of current defenses against multiple attacks. Our analysis shows that while existing defenses have made progress in terms of average robustness across the set of attacks used, robustness against the worst-case attack is still a big open problem as all existing models perform worse than random guessing.  ( 2 min )

Many problems arising in control and cybernetics require the determination of a mathematical model of the application. This has often to be performed starting from input-output data, leading to a task known as system identification in the engineering literature. One emerging topic in this field is estimation of networks consisting of several interconnected dynamic systems. We consider the linear setting assuming that system outputs are the result of many correlated inputs, hence making system identification severely ill-conditioned. This is a scenario often encountered when modeling complex cybernetics systems composed by many sub-units with feedback and algebraic loops. We develop a strategy cast in a Bayesian regularization framework where any impulse response is seen as realization of a zero-mean Gaussian process. Any covariance is defined by the so called stable spline kernel which includes information on smooth exponential decay. We design a novel Markov chain Monte Carlo scheme able to reconstruct the impulse responses posterior by efficiently dealing with collinearity. Our scheme relies on a variation of the Gibbs sampling technique: beyond considering blocks forming a partition of the parameter space, some other (overlapping) blocks are also updated on the basis of the level of collinearity of the system inputs. Theoretical properties of the algorithm are studied obtaining its convergence rate. Numerical experiments are included using systems containing hundreds of impulse responses and highly correlated inputs.  ( 2 min )

The study of algorithmic fairness received growing attention recently. This stems from the awareness that bias in the input data for machine learning systems may result in discriminatory outputs. For clustering tasks, one of the most central notions of fairness is the formalization by Chierichetti, Kumar, Lattanzi, and Vassilvitskii [NeurIPS 2017]. A clustering is said to be fair, if each cluster has the same distribution of manifestations of a sensitive attribute as the whole input set. This is motivated by various applications where the objects to be clustered have sensitive attributes that should not be over- or underrepresented. We discuss the applicability of this fairness notion to Correlation Clustering. The existing literature on the resulting Fair Correlation Clustering problem either presents approximation algorithms with poor approximation guarantees or severely limits the possible distributions of the sensitive attribute (often only two manifestations with a 1:1 ratio are considered). Our goal is to understand if there is hope for better results in between these two extremes. To this end, we consider restricted graph classes which allow us to characterize the distributions of sensitive attributes for which this form of fairness is tractable from a complexity point of view. While existing work on Fair Correlation Clustering gives approximation algorithms, we focus on exact solutions and investigate whether there are efficiently solvable instances. The unfair version of Correlation Clustering is trivial on forests, but adding fairness creates a surprisingly rich picture of complexities. We give an overview of the distributions and types of forests where Fair Correlation Clustering turns from tractable to intractable. The most surprising insight to us is the fact that the cause of the hardness of Fair Correlation Clustering is not the strictness of the fairness condition.

Discovering interpretable patterns for classification of sequential data is of key importance for a variety of fields, ranging from genomics to fraud detection or more generally interpretable decision-making. In this paper, we propose a novel differentiable fully interpretable method to discover both local and global patterns (i.e. catching a relative or absolute temporal dependency) for rule-based binary classification. It consists of a convolutional binary neural network with an interpretable neural filter and a training strategy based on dynamically-enforced sparsity. We demonstrate the validity and usefulness of the approach on synthetic datasets and on an open-source peptides dataset. Key to this end-to-end differentiable method is that the expressive patterns used in the rules are learned alongside the rules themselves.  ( 2 min )

Recent research has shown that integrating domain knowledge into deep learning architectures is effective -- it helps reduce the amount of required data, improves the accuracy of the models' decisions, and improves the interpretability of models. However, the research community is missing a convened benchmark for systematically evaluating knowledge integration methods. In this work, we create a benchmark that is a collection of nine tasks in the domains of natural language processing and computer vision. In all cases, we model external knowledge as constraints, specify the sources of the constraints for each task, and implement various models that use these constraints. We report the results of these models using a new set of extended evaluation criteria in addition to the task performances for a more in-depth analysis. This effort provides a framework for a more comprehensive and systematic comparison of constraint integration techniques and for identifying related research challenges. It will facilitate further research for alleviating some problems of state-of-the-art neural models.  ( 2 min )

We present a unified representation of the most popular neural network activation functions. Adopting Mittag-Leffler functions of fractional calculus, we propose a flexible and compact functional form that is able to interpolate between various activation functions and mitigate common problems in training neural networks such as vanishing and exploding gradients. The presented gated representation extends the scope of fixed-shape activation functions to their adaptive counterparts whose shape can be learnt from the training data. The derivatives of the proposed functional form can also be expressed in terms of Mittag-Leffler functions making it a suitable candidate for gradient-based backpropagation algorithms. By training LeNet-5 neural network on MNIST and CIFAR-10 datasets, we demonstrate that adopting a unified gated representation of activation functions offers a promising and affordable alternative to individual built-in implementations of activation functions in conventional machine learning frameworks.  ( 2 min )

The imputation of missing values in multivariate time series data has been explored using a few recently proposed deep learning methods. The evaluation of these state-of-the-art methods is limited to one or two data sets, low missing rates, and completely random missing value types. These limited experiments do not comprehensively evaluate imputation methods on realistic data scenarios with varying missing rates and not-at-random missing types. This survey takes a data-centric approach to benchmark state-of-the-art deep imputation methods across five time series health data sets and six experimental conditions. Our extensive analysis reveals that no single imputation method outperforms the others on all five data sets. The imputation performance depends on data types, individual variable statistics, missing value rates, and types. In this context, state-of-the-art methods jointly perform cross-sectional (across variables) and longitudinal (across time) imputations of missing values in time series data. However, variables with high cross-correlation can be better imputed by cross-sectional imputation methods alone. In contrast, the ones with time series sensor signals may be better imputed by longitudinal imputation methods alone. The findings of this study emphasize the importance of considering data specifics when choosing a missing value imputation method for multivariate time series data.  ( 2 min )

Visual speech recognition models extract visual features in a hierarchical manner. At the lower level, there is a visual front-end with a limited temporal receptive field that processes the raw pixels depicting the lips or faces. At the higher level, there is an encoder that attends to the embeddings produced by the front-end over a large temporal receptive field. Previous work has focused on improving the visual front-end of the model to extract more useful features for speech recognition. Surprisingly, our work shows that complex visual front-ends are not necessary. Instead of allocating resources to a sophisticated visual front-end, we find that a linear visual front-end paired with a larger Conformer encoder results in lower latency, more efficient memory usage, and improved WER performance. We achieve a new state-of-the-art of $12.8\%$ WER for visual speech recognition on the TED LRS3 dataset, which rivals the performance of audio-only models from just four years ago.  ( 2 min )

Daily activity data that records individuals' various types of activities in daily life are widely used in many applications such as activity scheduling, activity recommendation, and policymaking. Though with high value, its accessibility is limited due to high collection costs and potential privacy issues. Therefore, simulating human activities to produce massive high-quality data is of great importance to benefit practical applications. However, existing solutions, including rule-based methods with simplified assumptions of human behavior and data-driven methods directly fitting real-world data, both cannot fully qualify for matching reality. In this paper, motivated by the classic psychological theory, Maslow's need theory describing human motivation, we propose a knowledge-driven simulation framework based on generative adversarial imitation learning. To enhance the fidelity and utility of the generated activity data, our core idea is to model the evolution of human needs as the underlying mechanism that drives activity generation in the simulation model. Specifically, this is achieved by a hierarchical model structure that disentangles different need levels, and the use of neural stochastic differential equations that successfully captures piecewise-continuous characteristics of need dynamics. Extensive experiments demonstrate that our framework outperforms the state-of-the-art baselines in terms of data fidelity and utility. Besides, we present the insightful interpretability of the need modeling. The code is available at https://github.com/tsinghua-fib-lab/SAND.  ( 2 min )

The presence of decision-making algorithms in society is rapidly increasing nowadays, while concerns about their transparency and the possibility of these algorithms becoming new sources of discrimination are arising. There is a certain consensus about the need to develop AI applications with a Human-Centric approach. Human-Centric Machine Learning needs to be developed based on four main requirements: (i) utility and social good; (ii) privacy and data ownership; (iii) transparency and accountability; and (iv) fairness in AI-driven decision-making processes. All these four Human-Centric requirements are closely related to each other. With the aim of studying how current multimodal algorithms based on heterogeneous sources of information are affected by sensitive elements and inner biases in the data, we propose a fictitious case study focused on automated recruitment: FairCVtest. We train automatic recruitment algorithms using a set of multimodal synthetic profiles including image, text, and structured data, which are consciously scored with gender and racial biases. FairCVtest shows the capacity of the Artificial Intelligence (AI) behind automatic recruitment tools built this way (a common practice in many other application scenarios beyond recruitment) to extract sensitive information from unstructured data and exploit it in combination to data biases in undesirable (unfair) ways. We present an overview of recent works developing techniques capable of removing sensitive information and biases from the decision-making process of deep learning architectures, as well as commonly used databases for fairness research in AI. We demonstrate how learning approaches developed to guarantee privacy in latent spaces can lead to unbiased and fair automatic decision-making process.

The classical sparse coding model represents visual stimuli as a linear combination of a handful of learned basis functions that are Gabor-like when trained on natural image data. However, the Gabor-like filters learned by classical sparse coding far overpredict well-tuned simple cell receptive field (SCRF) profiles. A number of subsequent models have either discarded the sparse dictionary learning framework entirely or have yet to take advantage of the surge in unrolled, neural dictionary learning architectures. A key missing theme of these updates is a stronger notion of \emph{structured sparsity}. We propose an autoencoder architecture whose latent representations are implicitly, locally organized for spectral clustering, which begets artificial neurons better matched to observed primate data. The weighted-$\ell_1$ (WL) constraint in the autoencoder objective function maintains core ideas of the sparse coding framework, yet also offers a promising path to describe the differentiation of receptive fields in terms of a discriminative hierarchy in future work.  ( 2 min )

The sole aim of this book is to give a self-contained introduction to concepts and mathematical tools in Bayesian matrix decomposition in order to seamlessly introduce matrix decomposition techniques and their applications in subsequent sections. However, we clearly realize our inability to cover all the useful and interesting results concerning Bayesian matrix decomposition and given the paucity of scope to present this discussion, e.g., the separated analysis of variational inference for conducting the optimization. We refer the reader to literature in the field of Bayesian analysis for a more detailed introduction to the related fields. This book is primarily a summary of purpose, significance of important Bayesian matrix decomposition methods, e.g., real-valued decomposition, nonnegative matrix factorization, Bayesian interpolative decomposition, and the origin and complexity of the methods which shed light on their applications. The mathematical prerequisite is a first course in statistics and linear algebra. Other than this modest background, the development is self-contained, with rigorous proof provided throughout.

Dimensionality reduction techniques map values from a high dimensional space to one with a lower dimension. The result is a space which requires less physical memory and has a faster distance calculation. These techniques are widely used where required properties of the reduced-dimension space give an acceptable accuracy with respect to the original space. Many such transforms have been described. They have been classified in two main groups: linear and topological. Linear methods such as Principal Component Analysis (PCA) and Random Projection (RP) define matrix-based transforms into a lower dimension of Euclidean space. Topological methods such as Multidimensional Scaling (MDS) attempt to preserve higher-level aspects such as the nearest-neighbour relation, and some may be applied to non-Euclidean spaces. Here, we introduce nSimplex Zen, a novel topological method of reducing dimensionality. Like MDS, it relies only upon pairwise distances measured in the original space. The use of distances, rather than coordinates, allows the technique to be applied to both Euclidean and other Hilbert spaces, including those governed by Cosine, Jensen-Shannon and Quadratic Form distances. We show that in almost all cases, due to geometric properties of high-dimensional spaces, our new technique gives better properties than others, especially with reduction to very low dimensions.

Spectral clustering became a popular choice for data clustering for its ability of uncovering clusters of different shapes. However, it is not always preferable over other clustering methods due to its computational demands. One of the effective ways to bypass these computational demands is to perform spectral clustering on a subset of points (data representatives) then generalize the clustering outcome, this is known as approximate spectral clustering (ASC). ASC uses sampling or quantization to select data representatives. This makes it vulnerable to 1) performance inconsistency (since these methods have a random step either in initialization or training), 2) local statistics loss (because the pairwise similarities are extracted from data representatives instead of data points). We proposed a refined version of $k$-nearest neighbor graph, in which we keep data points and aggressively reduce number of edges for computational efficiency. Local statistics were exploited to keep the edges that do not violate the intra-cluster distances and nullify all other edges in the $k$-nearest neighbor graph. We also introduced an optional step to automatically select the number of clusters $C$. The proposed method was tested on synthetic and real datasets. Compared to ASC methods, the proposed method delivered a consistent performance despite significant reduction of edges.

Fully homomorphic encryption (FHE) is an encryption method that allows to perform computation on encrypted data, without decryption. FHE preserves the privacy of the users of online services that handle sensitive data, such as health data, biometrics, credit scores and other personal information. A common way to provide a valuable service on such data is through machine learning and, at this time, Neural Networks are the dominant machine learning model for unstructured data. In this work we show how to construct Deep Neural Networks (DNN) that are compatible with the constraints of TFHE, an FHE scheme that allows arbitrary depth computation circuits. We discuss the constraints and show the architecture of DNNs for two computer vision tasks. We benchmark the architectures using the Concrete stack, an open-source implementation of TFHE.  ( 2 min )

Dairy farming plays an important role in agriculture for thousands of years not only in Sri Lanka but also in so many other countries. When it comes to dairy farming cattle is an indispensable animal. According to the literature surveys almost 3.9 million cattle and calves die in a year due to different types of diseases. The causes of diseases are mainly bacteria, parasites, fungi, chemical poisons and etc. Infectious diseases can be a greatest threat to livestock health. The mortality rate of cattle causes a huge impact on social, economic and environmental damage. In order to decrease this negative impact, the proposal implements a cross-platform mobile application to easily analyze and identify the diseases which cattle suffer from and give them a solution and also to identify the cattle breeds. The mobile application is designed to identify the breeds by analyzing the images of the cattle and identify diseases after analyzing the videos and the images of affected areas. Then make a model to identify the weight and the age of a particular cow and suggest the best dose of the medicine to the identified disease. This will be a huge advantage to farmers as well as to dairy industry. The name of the proposed mobile application is 'The Taurus' and this paper address the selected machine learning and image processing models and the approaches taken to identify the diseases, breeds and suggest the prevention methods and medicine to the identified disease.  ( 3 min )

This paper introduces a set of formally defined and transparent problems for reinforcement learning algorithms with the following characteristics: (1) variable degrees of observability (non-Markov observations), (2) distal and sparse rewards, (3) variable and hierarchical reward structure, (4) multiple-task generation, (5) variable problem complexity. The environment provides 1D or 2D categorical observations, and takes actions as input. The core structure of the CT-graph is a multi-branch tree graph with arbitrary branching factor, depth, and observation sets that can be varied to increase the dimensions of the problem in a controllable and measurable way. Two main categories of states, decision states and wait states, are devised to create a hierarchy of importance among observations, typical of real-world problems. A large observation set can produce a vast set of histories that impairs memory-augmented agents. Variable reward functions allow for the easy creation of multiple tasks and the ability of an agent to efficiently adapt in dynamic scenarios where tasks with controllable degrees of similarities are presented. Challenging complexity levels can be easily achieved due to the exponential growth of the graph. The problem formulation and accompanying code provide a fast, transparent, and mathematically defined set of configurable tests to compare the performance of reinforcement learning algorithms, in particular in lifelong learning settings.  ( 2 min )

Generative AI models have recently achieved astonishing results in quality and are consequently employed in a fast-growing number of applications. However, since they are highly data-driven, relying on billion-sized datasets randomly scraped from the internet, they also suffer from degenerated and biased human behavior, as we demonstrate. In fact, they may even reinforce such biases. To not only uncover but also combat these undesired effects, we present a novel strategy, called Fair Diffusion, to attenuate biases after the deployment of generative text-to-image models. Specifically, we demonstrate shifting a bias, based on human instructions, in any direction yielding arbitrarily new proportions for, e.g., identity groups. As our empirical evaluation demonstrates, this introduced control enables instructing generative image models on fairness, with no data filtering and additional training required.  ( 2 min )

Interpretable representation learning has been playing a key role in creative intelligent systems. In the music domain, current learning algorithms can successfully learn various features such as pitch, timbre, chord, texture, etc. However, most methods rely heavily on music domain knowledge. It remains an open question what general computational principles give rise to interpretable representations, especially low-dim factors that agree with human perception. In this study, we take inspiration from modern physics and use physical symmetry as a self-consistency constraint for the latent space. Specifically, it requires the prior model that characterises the dynamics of the latent states to be equivariant with respect to certain group transformations. We show that physical symmetry leads the model to learn a linear pitch factor from unlabelled monophonic music audio in a self-supervised fashion. In addition, the same methodology can be applied to computer vision, learning a 3D Cartesian space from videos of a simple moving object without labels. Furthermore, physical symmetry naturally leads to representation augmentation, a new technique which improves sample efficiency.  ( 2 min )

Using vanilla NeuralODEs to model large and/or complex systems often fails due two reasons: Stability and convergence. NeuralODEs are capable of describing stable as well as instable dynamic systems. Selecting an appropriate numerical solver is not trivial, because NeuralODE properties change during training. If the NeuralODE becomes more stiff, a suboptimal solver may need to perform very small solver steps, which significantly slows down the training process. If the NeuralODE becomes to instable, the numerical solver might not be able to solve it at all, which causes the training process to terminate. Often, this is tackled by choosing a computational expensive solver that is robust to instable and stiff ODEs, but at the cost of a significantly decreased training performance. Our method on the other hand, allows to enforce ODE properties that fit a specific solver or application-related boundary conditions. Concerning the convergence behavior, NeuralODEs often tend to run into local minima, especially if the system to be learned is highly dynamic and/or oscillating over multiple periods. Because of the vanishing gradient at a local minimum, the NeuralODE is often not capable of leaving it and converge to the right solution. We present a technique to add knowledge of ODE properties based on eigenvalues - like (partly) stability, oscillation capability, frequency, damping and/or stiffness - to the training objective of a NeuralODE. We exemplify our method at a linear as well as a nonlinear system model and show, that the presented training process is far more robust against local minima, instabilities and sparse data samples and improves training convergence and performance.  ( 2 min )

Learning meaningful protein representation is important for a variety of biological downstream tasks such as structure-based drug design. Having witnessed the success of protein sequence pretraining, pretraining for structural data which is more informative has become a promising research topic. However, there are three major challenges facing protein structure pretraining: insufficient sample diversity, physically unrealistic modeling, and the lack of protein-specific pretext tasks. To try to address these challenges, we present the 3D Geometric Pretraining. In this paper, we propose a unified framework for protein pretraining and a 3D geometric-based, data-efficient, and protein-specific pretext task: RefineDiff (Refine the Diffused Protein Structure Decoy). After pretraining our geometric-aware model with this task on limited data(less than 1% of SOTA models), we obtained informative protein representations that can achieve comparable performance for various downstream tasks.  ( 2 min )

This paper presents $\Psi$-GNN, a novel Graph Neural Network (GNN) approach for solving the ubiquitous Poisson PDE problems with mixed boundary conditions. By leveraging the Implicit Layer Theory, $\Psi$-GNN models an ''infinitely'' deep network, thus avoiding the empirical tuning of the number of required Message Passing layers to attain the solution. Its original architecture explicitly takes into account the boundary conditions, a critical prerequisite for physical applications, and is able to adapt to any initially provided solution. $\Psi$-GNN is trained using a ''physics-informed'' loss, and the training process is stable by design, and insensitive to its initialization. Furthermore, the consistency of the approach is theoretically proven, and its flexibility and generalization efficiency are experimentally demonstrated: the same learned model can accurately handle unstructured meshes of various sizes, as well as different boundary conditions. To the best of our knowledge, $\Psi$-GNN is the first physics-informed GNN-based method that can handle various unstructured domains, boundary conditions and initial solutions while also providing convergence guarantees.  ( 2 min )

When facing data with imbalanced classes or groups, practitioners follow an intriguing strategy to achieve best results. They throw away examples until the classes or groups are balanced in size, and then perform empirical risk minimization on the reduced training set. This opposes common wisdom in learning theory, where the expected error is supposed to decrease as the dataset grows in size. In this work, we leverage extreme value theory to address this apparent contradiction. Our results show that the tails of the data distribution play an important role in determining the worst-group-accuracy of linear classifiers. When learning on data with heavy tails, throwing away data restores the geometric symmetry of the resulting classifier, and therefore improves its worst-group generalization.  ( 2 min )

Directed acyclic graphs (DAGs) with hidden variables are often used to characterize causal relations between variables in a system. When some variables are unobserved, DAGs imply a notoriously complicated set of constraints on the distribution of observed variables. In this work, we present entropic inequality constraints that are implied by $e$-separation relations in hidden variable DAGs with discrete observed variables. The constraints can intuitively be understood to follow from the fact that the capacity of variables along a causal pathway to convey information is restricted by their entropy; e.g. at the extreme case, a variable with entropy $0$ can convey no information. We show how these constraints can be used to learn about the true causal model from an observed data distribution. In addition, we propose a measure of causal influence called the minimal mediary entropy, and demonstrate that it can augment traditional measures such as the average causal effect.

The rise of graph representation learning as the primary solution for many different network science tasks led to a surge of interest in the fairness of this family of methods. Link prediction, in particular, has a substantial social impact. However, link prediction algorithms tend to increase the segregation in social networks by disfavoring the links between individuals in specific demographic groups. This paper proposes a novel way to enforce fairness on graph neural networks with a fine-tuning strategy. We Drop the unfair Edges and, simultaneously, we Adapt the model's parameters to those modifications, DEA in short. We introduce two covariance-based constraints designed explicitly for the link prediction task. We use these constraints to guide the optimization process responsible for learning the new "fair" adjacency matrix. One novelty of DEA is that we can use a discrete yet learnable adjacency matrix in our fine-tuning. We demonstrate the effectiveness of our approach on five real-world datasets and show that we can improve both the accuracy and the fairness of the link prediction tasks. In addition, we present an in-depth ablation study demonstrating that our training algorithm for the adjacency matrix can be used to improve link prediction performances during training. Finally, we compute the relevance of each component of our framework to show that the combination of both the constraints and the training of the adjacency matrix leads to optimal performances.

Learning to optimize (L2O) has gained increasing popularity, which automates the design of optimizers by data-driven approaches. However, current L2O methods often suffer from poor generalization performance in at least two folds: (i) applying the L2O-learned optimizer to unseen optimizees, in terms of lowering their loss function values (optimizer generalization, or ``generalizable learning of optimizers"); and (ii) the test performance of an optimizee (itself as a machine learning model), trained by the optimizer, in terms of the accuracy over unseen data (optimizee generalization, or ``learning to generalize"). While the optimizer generalization has been recently studied, the optimizee generalization (or learning to generalize) has not been rigorously studied in the L2O context, which is the aim of this paper. We first theoretically establish an implicit connection between the local entropy and the Hessian, and hence unify their roles in the handcrafted design of generalizable optimizers as equivalent metrics of the landscape flatness of loss functions. We then propose to incorporate these two metrics as flatness-aware regularizers into the L2O framework in order to meta-train optimizers to learn to generalize, and theoretically show that such generalization ability can be learned during the L2O meta-training process and then transformed to the optimizee loss function. Extensive experiments consistently validate the effectiveness of our proposals with substantially improved generalization on multiple sophisticated L2O models and diverse optimizees. Our code is available at: https://github.com/VITA-Group/Open-L2O/tree/main/Model_Free_L2O/L2O-Entropy.  ( 2 min )

Solving high-dimensional Bayesian inverse problems (BIPs) with the variational inference (VI) method is promising but still challenging. The main difficulties arise from two aspects. First, VI methods approximate the posterior distribution using a simple and analytic variational distribution, which makes it difficult to estimate complex spatially-varying parameters in practice. Second, VI methods typically rely on gradient-based optimization, which can be computationally expensive or intractable when applied to BIPs involving partial differential equations (PDEs). To address these challenges, we propose a novel approximation method for estimating the high-dimensional posterior distribution. This approach leverages a deep generative model to learn a prior model capable of generating spatially-varying parameters. This enables posterior approximation over the latent variable instead of the complex parameters, thus improving estimation accuracy. Moreover, to accelerate gradient computation, we employ a differentiable physics-constrained surrogate model to replace the adjoint method. The proposed method can be fully implemented in an automatic differentiation manner. Numerical examples demonstrate two types of log-permeability estimation for flow in heterogeneous media. The results show the validity, accuracy, and high efficiency of the proposed method.  ( 2 min )

Learning a universal policy across different robot morphologies can significantly improve learning efficiency and generalization in continuous control. However, it poses a challenging multi-task reinforcement learning problem, as the optimal policy may be quite different across robots and critically depend on the morphology. Existing methods utilize graph neural networks or transformers to handle heterogeneous state and action spaces across different morphologies, but pay little attention to the dependency of a robot's control policy on its morphology context. In this paper, we propose a hierarchical architecture to better model this dependency via contextual modulation, which includes two key submodules: (1) Instead of enforcing hard parameter sharing across robots, we use hypernetworks to generate morphology-dependent control parameters; (2) We propose a morphology-dependent attention mechanism to modulate the interactions between different limbs in a robot. Experimental results show that our method not only improves learning performance on a diverse set of training robots, but also generalizes better to unseen morphologies in a zero-shot fashion.  ( 2 min )

Learning nonparametric systems of Ordinary Differential Equations (ODEs) dot x = f(t,x) from noisy data is an emerging machine learning topic. We use the well-developed theory of Reproducing Kernel Hilbert Spaces (RKHS) to define candidates for f for which the solution of the ODE exists and is unique. Learning f consists of solving a constrained optimization problem in an RKHS. We propose a penalty method that iteratively uses the Representer theorem and Euler approximations to provide a numerical solution. We prove a generalization bound for the L2 distance between x and its estimator and provide experimental comparisons with the state-of-the-art.  ( 2 min )

Persistent homology is a methodology central to topological data analysis that extracts and summarizes the topological features within a dataset as a persistence diagram; it has recently gained much popularity from its myriad successful applications to many domains. However, its algebraic construction induces a metric space of persistence diagrams with a highly complex geometry. In this paper, we prove convergence of the $k$-means clustering algorithm on persistence diagram space and establish theoretical properties of the solution to the optimization problem in the Karush--Kuhn--Tucker framework. Additionally, we perform numerical experiments on various representations of persistent homology, including embeddings of persistence diagrams as well as diagrams themselves and their generalizations as persistence measures; we find that clustering performance directly on persistence diagrams and measures outperform their vectorized representations.  ( 2 min )

The Gaussianity assumption has been pointed out as the main limitation of the Variational AutoEncoder (VAE) in spite of its usefulness in computation. To improve the distributional capacity (i.e., expressive power of distributional family) of the VAE, we propose a new VAE learning method with a nonparametric distributional assumption on its generative model. By estimating an infinite number of conditional quantiles, our proposed VAE model directly estimates the conditional cumulative distribution function, and we call this approach distributional learning of the VAE. Furthermore, by adopting the continuous ranked probability score (CRPS) loss, our proposed learning method becomes computationally tractable. To evaluate how well the underlying distribution of the dataset is captured, we apply our model for synthetic data generation based on inverse transform sampling. Numerical results with real tabular datasets corroborate our arguments.

Recent advancements in GANs and diffusion models have enabled the creation of high-resolution, hyper-realistic images. However, these models may misrepresent certain social groups and present bias. Understanding bias in these models remains an important research question, especially for tasks that support critical decision-making and could affect minorities. The contribution of this work is a novel analysis covering architectures and embedding spaces for fine-grained understanding of bias over three approaches: generators, attribute modifier, and post-processing bias mitigators. This work shows that generators suffer from bias across all social groups with attribute preferences such as between 75%-85% for whiteness and 60%-80% for the female gender (for all trained CelebA models) and low probabilities of generating children and older men. Modifier and mitigators work as post-processor and change the generator performance. For instance, attribute channel perturbation strategies modify the embedding spaces. We quantify the influence of this change on group fairness by measuring the impact on image quality and group features. Specifically, we use the Fr\'echet Inception Distance (FID), the Face Matching Error and the Self-Similarity score. For Interfacegan, we analyze one and two attribute channel perturbations and examine the effect on the fairness distribution and the quality of the image. Finally, we analyzed the post-processing bias mitigators, which are the fastest and most computationally efficient way to mitigate bias. We find that these mitigation techniques show similar results on KL divergence and FID score, however, self-similarity scores show a different feature concentration on the new groups of the data distribution. The weaknesses and ongoing challenges described in this work must be considered in the pursuit of creating fair and unbiased face generation models.

Machine Learning (ML) techniques facilitate automating malicious software (malware for short) detection, but suffer from evasion attacks. Many researchers counter such attacks in heuristic manners short of both theoretical guarantees and defense effectiveness. We hence propose a new adversarial training framework, termed Principled Adversarial Malware Detection (PAD), which encourages convergence guarantees for robust optimization methods. PAD lays on a learnable convex measurement that quantifies distribution-wise discrete perturbations and protects the malware detector from adversaries, by which for smooth detectors, adversarial training can be performed heuristically with theoretical treatments. To promote defense effectiveness, we propose a new mixture of attacks to instantiate PAD for enhancing the deep neural network-based measurement and malware detector. Experimental results on two Android malware datasets demonstrate: (i) the proposed method significantly outperforms the state-of-the-art defenses; (ii) it can harden the ML-based malware detection against 27 evasion attacks with detection accuracies greater than 83.45%, while suffering an accuracy decrease smaller than 2.16% in the absence of attacks; (iii) it matches or outperforms many anti-malware scanners in VirusTotal service against realistic adversarial malware.

We investigate the time complexity of SGD learning on fully-connected neural networks with isotropic data. We put forward a complexity measure -- the leap -- which measures how "hierarchical" target functions are. For $d$-dimensional uniform Boolean or isotropic Gaussian data, our main conjecture states that the time complexity to learn a function $f$ with low-dimensional support is $\tilde\Theta (d^{\max(\mathrm{Leap}(f),2)})$. We prove a version of this conjecture for a class of functions on Gaussian isotropic data and 2-layer neural networks, under additional technical assumptions on how SGD is run. We show that the training sequentially learns the function support with a saddle-to-saddle dynamic. Our result departs from [Abbe et al. 2022] by going beyond leap 1 (merged-staircase functions), and by going beyond the mean-field and gradient flow approximations that prohibit the full complexity control obtained here. Finally, we note that this gives an SGD complexity for the full training trajectory that matches that of Correlational Statistical Query (CSQ) lower-bounds.

We study the problem of deployment efficient reinforcement learning (RL) with linear function approximation under the \emph{reward-free} exploration setting. This is a well-motivated problem because deploying new policies is costly in real-life RL applications. Under the linear MDP setting with feature dimension $d$ and planning horizon $H$, we propose a new algorithm that collects at most $\widetilde{O}(\frac{d^2H^5}{\epsilon^2})$ trajectories within $H$ deployments to identify $\epsilon$-optimal policy for any (possibly data-dependent) choice of reward functions. To the best of our knowledge, our approach is the first to achieve optimal deployment complexity and optimal $d$ dependence in sample complexity at the same time, even if the reward is known ahead of time. Our novel techniques include an exploration-preserving policy discretization and a generalized G-optimal experiment design, which could be of independent interest. Lastly, we analyze the related problem of regret minimization in low-adaptive RL and provide information-theoretic lower bounds for switching cost and batch complexity.

Given a matrix $M\in \mathbb{R}^{m\times n}$, the low rank matrix completion problem asks us to find a rank-$k$ approximation of $M$ as $UV^\top$ for $U\in \mathbb{R}^{m\times k}$ and $V\in \mathbb{R}^{n\times k}$ by only observing a few entries masked by a binary matrix $P_{\Omega}\in \{0, 1 \}^{m\times n}$. As a particular instance of the weighted low rank approximation problem, solving low rank matrix completion is known to be computationally hard even to find an approximate solution [RSW16]. However, due to its practical importance, many heuristics have been proposed for this problem. In the seminal work of Jain, Netrapalli, and Sanghavi [JNS13], they show that the alternating minimization framework provides provable guarantees for low rank matrix completion problem whenever $M$ admits an incoherent low rank factorization. Unfortunately, their algorithm requires solving two exact multiple response regressions per iteration and their analysis is non-robust as they exploit the structure of the exact solution. In this paper, we take a major step towards a more efficient and robust alternating minimization framework for low rank matrix completion. Our main result is a robust alternating minimization algorithm that can tolerate moderate errors even though the regressions are solved approximately. Consequently, we also significantly improve the running time of [JNS13] from $\widetilde{O}(mnk^2 )$ to $\widetilde{O}(mnk )$ which is nearly linear in the problem size, as verifying the low rank approximation takes $O(mnk)$ time. Our core algorithmic building block is a high accuracy regression solver that solves the regression in nearly linear time per iteration.

Sampling a probability distribution with an unknown normalization constant is a fundamental problem in computational science and engineering. This task may be cast as an optimization problem over all probability measures, and an initial distribution can be evolved to the desired minimizer dynamically via gradient flows. Mean-field models, whose law is governed by the gradient flow in the space of probability measures, may also be identified; particle approximations of these mean-field models form the basis of algorithms. The gradient flow approach is also the basis of algorithms for variational inference, in which the optimization is performed over a parameterized family of probability distributions such as Gaussians, and the underlying gradient flow is restricted to the parameterized family. By choosing different energy functionals and metrics for the gradient flow, different algorithms with different convergence properties arise. In this paper, we concentrate on the Kullback-Leibler divergence after showing that, up to scaling, it has the unique property that the gradient flows resulting from this choice of energy do not depend on the normalization constant. For the metrics, we focus on variants of the Fisher-Rao, Wasserstein, and Stein metrics; we introduce the affine invariance property for gradient flows, and their corresponding mean-field models, determine whether a given metric leads to affine invariance, and modify it to make it affine invariant if it does not. We study the resulting gradient flows in both probability density space and Gaussian space. The flow in the Gaussian space may be understood as a Gaussian approximation of the flow. We demonstrate that the Gaussian approximation based on the metric and through moment closure coincide, establish connections between them, and study their long-time convergence properties showing the advantages of affine invariance.

Random Fourier Features (RFF) is among the most popular and broadly applicable approaches for scaling up kernel methods. In essence, RFF allows the user to avoid costly computations on a large kernel matrix via a fast randomized approximation. However, a pervasive difficulty in applying RFF is that the user does not know the actual error of the approximation, or how this error will propagate into downstream learning tasks. Up to now, the RFF literature has primarily dealt with these uncertainties using theoretical error bounds, but from a user's standpoint, such results are typically impractical -- either because they are highly conservative or involve unknown quantities. To tackle these general issues in a data-driven way, this paper develops a bootstrap approach to numerically estimate the errors of RFF approximations. Three key advantages of this approach are: (1) The error estimates are specific to the problem at hand, avoiding the pessimism of worst-case bounds. (2) The approach is flexible with respect to different uses of RFF, and can even estimate errors in downstream learning tasks. (3) The approach enables adaptive computation, so that the user can quickly inspect the error of a rough initial kernel approximation and then predict how much extra work is needed. Lastly, in exchange for all of these benefits, the error estimates can be obtained at a modest computational cost.

The Shapley value (SV) has emerged as a promising method for data valuation. However, computing or estimating the SV is often computationally expensive. To overcome this challenge, Jia et al. (2019) propose an advanced SV estimation algorithm called ``Group Testing-based SV estimator'' which achieves favorable asymptotic sample complexity. In this technical note, we present several improvements in the analysis and design choices of this SV estimator. Moreover, we point out that the Group Testing-based SV estimator does not fully reuse the collected samples. Our analysis and insights contribute to a better understanding of the challenges in developing efficient SV estimation algorithms for data valuation.

Linear partial differential equations (PDEs) are an important, widely applied class of mechanistic models, describing physical processes such as heat transfer, electromagnetism, and wave propagation. In practice, specialized numerical methods based on discretization are used to solve PDEs. They generally use an estimate of the unknown model parameters and, if available, physical measurements for initialization. Such solvers are often embedded into larger scientific models with a downstream application such that error quantification plays a key role. However, by ignoring parameter and measurement uncertainty, classical PDE solvers may fail to produce consistent estimates of their inherent approximation error. In this work, we approach this problem in a principled fashion by interpreting solving linear PDEs as physics-informed Gaussian process (GP) regression. Our framework is based on a key generalization of a widely-applied theorem for conditioning GPs on direct measurements to observations made via an arbitrary bounded linear operator. Crucially, this probabilistic viewpoint allows to (1) quantify the inherent discretization error; (2) propagate uncertainty about the model parameters to the solution; and (3) condition on noisy measurements. Demonstrating the strength of this formulation, we prove that it strictly generalizes methods of weighted residuals, a central class of PDE solvers including collocation, finite volume, pseudospectral, and (generalized) Galerkin methods such as finite element and spectral methods. This class can thus be directly equipped with a structured error estimate. In summary, our results enable the seamless integration of mechanistic models as modular building blocks into probabilistic models by blurring the boundaries between numerical analysis and Bayesian inference.  ( 2 min )

Discrete Determinantal Point Processes (DPPs) have a wide array of potential applications for subsampling datasets. They are however held back in some cases by the high cost of sampling. In the worst-case scenario, the sampling cost scales as O(n^3) where n is the number of elements of the ground set. A popular workaround to this prohibitive cost is to sample DPPs defined by low-rank kernels. In such cases, the cost of standard sampling algorithms scales as O(np^2 + nm^2) where m is the (average) number of samples of the DPP (usually m 1000. The algorithm described here is a close variant of the standard algorithm for sampling continuous DPPs, and uses rejection sampling. In the specific case of projection DPPs, we also show that any additional sample can be drawn in time O(m^3 log m). Finally, an interesting by-product of the analysis is that a realisation from a DPP is typically contained in a subset of size O(m log m) formed using leverage score i.i.d. sampling.  ( 2 min )

Data-to-text (D2T) and text-to-data (T2D) are dual tasks that convert structured data, such as graphs or tables into fluent text, and vice versa. These tasks are usually handled separately and use corpora extracted from a single source. Current systems leverage pre-trained language models fine-tuned on D2T or T2D tasks. This approach has two main limitations: first, a separate system has to be tuned for each task and source; second, learning is limited by the scarcity of available corpora. This paper considers a more general scenario where data are available from multiple heterogeneous sources. Each source, with its specific data format and semantic domain, provides a non-parallel corpus of text and structured data. We introduce a variational auto-encoder model with disentangled style and content variables that allows us to represent the diversity that stems from multiple sources of text and data. Our model is designed to handle the tasks of D2T and T2D jointly. We evaluate our model on several datasets, and show that by learning from multiple sources, our model closes the performance gap with its supervised single-source counterpart and outperforms it in some cases.  ( 2 min )

Given an empirical distribution $f(x)$ of sensitive data $x$, we consider the task of minimizing $F(y) = D_{\text{KL}} (f(x)\Vert y)$ over a probability simplex, while protecting the privacy of $x$. We observe that, if we take the exponential mechanism and use the KL divergence as the loss function, then the resulting algorithm is the Dirichlet mechanism that outputs a single draw from a Dirichlet distribution. Motivated by this, we propose a R\'enyi differentially private (RDP) algorithm that employs the Dirichlet mechanism to solve the KL divergence minimization task. In addition, given $f(x)$ as above and $\hat{y}$ an output of the Dirichlet mechanism, we prove a probability tail bound on $D_{\text{KL}} (f(x)\Vert \hat{y})$, which is then used to derive a lower bound for the sample complexity of our RDP algorithm. Experiments on real-world datasets demonstrate advantages of our algorithm over Gaussian and Laplace mechanisms in supervised classification and maximum likelihood estimation.  ( 2 min )

The Nystr\"{o}m method is an effective tool to generate low-rank approximations of large matrices, and it is particularly useful for kernel-based learning. To improve the standard Nystr\"{o}m approximation, ensemble Nystr\"{o}m algorithms compute a mixture of Nystr\"{o}m approximations which are generated independently based on column resampling. We propose a new family of algorithms, boosting Nystr\"{o}m, which iteratively generate multiple ``weak'' Nystr\"{o}m approximations (each using a small number of columns) in a sequence adaptively - each approximation aims to compensate for the weaknesses of its predecessor - and then combine them to form one strong approximation. We demonstrate that our boosting Nystr\"{o}m algorithms can yield more efficient and accurate low-rank approximations to kernel matrices. Improvements over the standard and ensemble Nystr\"{o}m methods are illustrated by simulation studies and real-world data analysis.  ( 2 min )

Motivated by personalized healthcare and other applications involving sensitive data, we study online exploration in reinforcement learning with differential privacy (DP) constraints. Existing work on this problem established that no-regret learning is possible under joint differential privacy (JDP) and local differential privacy (LDP) but did not provide an algorithm with optimal regret. We close this gap for the JDP case by designing an $\epsilon$-JDP algorithm with a regret of $\widetilde{O}(\sqrt{SAH^2T}+S^2AH^3/\epsilon)$ which matches the information-theoretic lower bound of non-private learning for all choices of $\epsilon> S^{1.5}A^{0.5} H^2/\sqrt{T}$. In the above, $S$, $A$ denote the number of states and actions, $H$ denotes the planning horizon, and $T$ is the number of steps. To the best of our knowledge, this is the first private RL algorithm that achieves \emph{privacy for free} asymptotically as $T\rightarrow \infty$. Our techniques -- which could be of independent interest -- include privately releasing Bernstein-type exploration bonuses and an improved method for releasing visitation statistics. The same techniques also imply a slightly improved regret bound for the LDP case.  ( 2 min )

Stochastic approximation (SA) is a classical algorithm that has had since the early days a huge impact on signal processing, and nowadays on machine learning, due to the necessity to deal with a large amount of data observed with uncertainties. An exemplar special case of SA pertains to the popular stochastic (sub)gradient algorithm which is the working horse behind many important applications. A lesser-known fact is that the SA scheme also extends to non-stochastic-gradient algorithms such as compressed stochastic gradient, stochastic expectation-maximization, and a number of reinforcement learning algorithms. The aim of this article is to overview and introduce the non-stochastic-gradient perspectives of SA to the signal processing and machine learning audiences through presenting a design guideline of SA algorithms backed by theories. Our central theme is to propose a general framework that unifies existing theories of SA, including its non-asymptotic and asymptotic convergence results, and demonstrate their applications on popular non-stochastic-gradient algorithms. We build our analysis framework based on classes of Lyapunov functions that satisfy a variety of mild conditions. We draw connections between non-stochastic-gradient algorithms and scenarios when the Lyapunov function is smooth, convex, or strongly convex. Using the said framework, we illustrate the convergence properties of the non-stochastic-gradient algorithms using concrete examples. Extensions to the emerging variance reduction techniques for improved sample complexity will also be discussed.  ( 2 min )

An increasing number of data science and machine learning problems rely on computation with tensors, which better capture the multi-way relationships and interactions of data than matrices. When tapping into this critical advantage, a key challenge is to develop computationally efficient and provably correct algorithms for extracting useful information from tensor data that are simultaneously robust to corruptions and ill-conditioning. This paper tackles tensor robust principal component analysis (RPCA), which aims to recover a low-rank tensor from its observations contaminated by sparse corruptions, under the Tucker decomposition. To minimize the computation and memory footprints, we propose to directly recover the low-dimensional tensor factors -- starting from a tailored spectral initialization -- via scaled gradient descent (ScaledGD), coupled with an iteration-varying thresholding operation to adaptively remove the impact of corruptions. Theoretically, we establish that the proposed algorithm converges linearly to the true low-rank tensor at a constant rate that is independent with its condition number, as long as the level of corruptions is not too large. Empirically, we demonstrate that the proposed algorithm achieves better and more scalable performance than state-of-the-art matrix and tensor RPCA algorithms through synthetic experiments and real-world applications.  ( 2 min )

We study the Combinatorial Thompson Sampling policy (CTS) for combinatorial multi-armed bandit problems (CMAB), within an approximation regret setting. Although CTS has attracted a lot of interest, it has a drawback that other usual CMAB policies do not have when considering non-exact oracles: for some oracles, CTS has a poor approximation regret (scaling linearly with the time horizon $T$) [Wang and Chen, 2018]. A study is then necessary to discriminate the oracles on which CTS could learn. This study was started by Kong et al. [2021]: they gave the first approximation regret analysis of CTS for the greedy oracle, obtaining an upper bound of order $\mathcal{O}(\log(T)/\Delta^2)$, where $\Delta$ is some minimal reward gap. In this paper, our objective is to push this study further than the simple case of the greedy oracle. We provide the first $\mathcal{O}(\log(T)/\Delta)$ approximation regret upper bound for CTS, obtained under a specific condition on the approximation oracle, allowing a reduction to the exact oracle analysis. We thus term this condition REDUCE2EXACT, and observe that it is satisfied in many concrete examples. Moreover, it can be extended to the probabilistically triggered arms setting, thus capturing even more problems, such as online influence maximization.  ( 2 min )

Many problems arising in control and cybernetics require the determination of a mathematical model of the application. This has often to be performed starting from input-output data, leading to a task known as system identification in the engineering literature. One emerging topic in this field is estimation of networks consisting of several interconnected dynamic systems. We consider the linear setting assuming that system outputs are the result of many correlated inputs, hence making system identification severely ill-conditioned. This is a scenario often encountered when modeling complex cybernetics systems composed by many sub-units with feedback and algebraic loops. We develop a strategy cast in a Bayesian regularization framework where any impulse response is seen as realization of a zero-mean Gaussian process. Any covariance is defined by the so called stable spline kernel which includes information on smooth exponential decay. We design a novel Markov chain Monte Carlo scheme able to reconstruct the impulse responses posterior by efficiently dealing with collinearity. Our scheme relies on a variation of the Gibbs sampling technique: beyond considering blocks forming a partition of the parameter space, some other (overlapping) blocks are also updated on the basis of the level of collinearity of the system inputs. Theoretical properties of the algorithm are studied obtaining its convergence rate. Numerical experiments are included using systems containing hundreds of impulse responses and highly correlated inputs.  ( 2 min )

Causal effect estimation is important for many tasks in the natural and social sciences. We design algorithms for the continuous partial identification problem: bounding the effects of multivariate, continuous treatments when unmeasured confounding makes identification impossible. Specifically, we cast causal effects as objective functions within a constrained optimization problem, and minimize/maximize these functions to obtain bounds. We combine flexible learning algorithms with Monte Carlo methods to implement a family of solutions under the name of stochastic causal programming. In particular, we show how the generic framework can be efficiently formulated in settings where auxiliary variables are clustered into pre-treatment and post-treatment sets, where no fine-grained causal graph can be easily specified. In these settings, we can avoid the need for fully specifying the distribution family of hidden common causes. Monte Carlo computation is also much simplified, leading to algorithms which are more computationally stable against alternatives.  ( 2 min )

We study the stochastic contextual bandit with knapsacks (CBwK) problem, where each action, taken upon a context, not only leads to a random reward but also costs a random resource consumption in a vector form. The challenge is to maximize the total reward without violating the budget for each resource. We study this problem under a general realizability setting where the expected reward and expected cost are functions of contexts and actions in some given general function classes $\mathcal{F}$ and $\mathcal{G}$, respectively. Existing works on CBwK are restricted to the linear function class since they use UCB-type algorithms, which heavily rely on the linear form and thus are difficult to extend to general function classes. Motivated by online regression oracles that have been successfully applied to contextual bandits, we propose the first universal and optimal algorithmic framework for CBwK by reducing it to online regression. We also establish the lower regret bound to show the optimality of our algorithm for a variety of function classes.  ( 2 min )

In this article, we propose a novel pessimism-based Bayesian learning method for optimal dynamic treatment regimes in the offline setting. When the coverage condition does not hold, which is common for offline data, the existing solutions would produce sub-optimal policies. The pessimism principle addresses this issue by discouraging recommendation of actions that are less explored conditioning on the state. However, nearly all pessimism-based methods rely on a key hyper-parameter that quantifies the degree of pessimism, and the performance of the methods can be highly sensitive to the choice of this parameter. We propose to integrate the pessimism principle with Thompson sampling and Bayesian machine learning for optimizing the degree of pessimism. We derive a credible set whose boundary uniformly lower bounds the optimal Q-function, and thus we do not require additional tuning of the degree of pessimism. We develop a general Bayesian learning method that works with a range of models, from Bayesian linear basis model to Bayesian neural network model. We develop the computational algorithm based on variational inference, which is highly efficient and scalable. We establish the theoretical guarantees of the proposed method, and show empirically that it outperforms the existing state-of-the-art solutions through both simulations and a real data example.  ( 2 min )

Low-rank multivariate regression (LRMR) is an important statistical learning model that combines highly correlated tasks as a multiresponse regression problem with low-rank priori on the coefficient matrix. In this paper, we study quantized LRMR, a practical setting where the responses and/or the covariates are discretized to finite precision. We focus on the estimation of the underlying coefficient matrix. To make consistent estimator that could achieve arbitrarily small error possible, we employ uniform quantization with random dithering, i.e., we add appropriate random noise to the data before quantization. Specifically, uniform dither and triangular dither are used for responses and covariates, respectively. Based on the quantized data, we propose the constrained Lasso and regularized Lasso estimators, and derive the non-asymptotic error bounds. With the aid of dithering, the estimators achieve minimax optimal rate, while quantization only slightly worsens the multiplicative factor in the error rate. Moreover, we extend our results to a low-rank regression model with matrix responses. We corroborate and demonstrate our theoretical results via simulations on synthetic data or image restoration.  ( 2 min )

Since their introduction, diffusion models have quickly become the prevailing approach to generative modeling in many domains. They can be interpreted as learning the gradients of a time-varying sequence of log-probability density functions. This interpretation has motivated classifier-based and classifier-free guidance as methods for post-hoc control of diffusion models. In this work, we build upon these ideas using the score-based interpretation of diffusion models, and explore alternative ways to condition, modify, and reuse diffusion models for tasks involving compositional generation and guidance. In particular, we investigate why certain types of composition fail using current techniques and present a number of solutions. We conclude that the sampler (not the model) is responsible for this failure and propose new samplers, inspired by MCMC, which enable successful compositional generation. Further, we propose an energy-based parameterization of diffusion models which enables the use of new compositional operators and more sophisticated, Metropolis-corrected samplers. Intriguingly we find these samplers lead to notable improvements in compositional generation across a wide set of problems such as classifier-guided ImageNet modeling and compositional text-to-image generation.  ( 2 min )

Variational autoencoder (VAE) estimates the posterior parameters (mean and variance) of latent variables corresponding to each input data. While it is used for many tasks, the transparency of the model is still an underlying issue. This paper provides a quantitative understanding of VAE property through the differential geometric and information-theoretic interpretations of VAE. According to the Rate-distortion theory, the optimal transform coding is achieved by using an orthonormal transform with PCA basis where the transform space is isometric to the input. Considering the analogy of transform coding to VAE, we clarify theoretically and experimentally that VAE can be mapped to an implicit isometric embedding with a scale factor derived from the posterior parameter. As a result, we can estimate the data probabilities in the input space from the prior, loss metrics, and corresponding posterior parameters, and further, the quantitative importance of each latent variable can be evaluated like the eigenvalue of PCA.  ( 2 min )

I struggle with consistency when it comes to working towards my goals. I've heard of chatbots and other AI-powered services that can help remind you to work towards your goals, track your progress, and even provide rewards or punishments for your results. Does anyone know of any such services that are currently available? I'm particularly interested in those that use NLP or other CBT techniques to motivate and encourage me. Thank you in advance for any suggestions or advice! submitted by /u/NegativePhotograph32 [link] [comments]  ( 41 min )

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​ https://preview.redd.it/mzebk18stzja1.png?width=1209&format=png&auto=webp&s=4aa4ebfa090a651f1cd4e87c292bc2f2b41f292a submitted by /u/Afrothunderrrrr [link] [comments]  ( 41 min )

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Hey all! My name is Katie and I am studying a Fine Art honours degree in the UK. I am currently collecting data surrounding AI art for my final year dissertation. I am collating this information in the form of a survey. It would be greatly appreciated if you could take 5 minutes out your day to help me with my research. The questions relate to the public opinion on AI, the potential implications of AI and future of AI technology being used within contemporary art practice. Thank you! https://docs.google.com/forms/d/e/1FAIpQLSeBsaQ6hrOjo0mJ5iP2KYPWBAfELA2sckskTptuzhtrVV0kKg/viewform?usp=sf_link submitted by /u/katiemrris [link] [comments]  ( 41 min )

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This is an educational video on the applications of AI in Finance https://youtu.be/C-GekL_TEkg submitted by /u/eprepsg [link] [comments]  ( 41 min )

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Neural vocoders have come a long way since their inception, but generating audio that sounds natural and realistic is still a challenge. The complexity of human speech and music makes it difficult to create convincing synthetic audio that doesn't sound artificial or robotic. However, recent advancements in neural vocoder technology are changing the game and UnivNet is at the forefront of this revolution. In this article, we'll explore how multi-resolution spectrogram discriminators are enhancing neural vocoder technology and how UnivNet is used for generating audio which is based on a given voice sample. Read more- https://machinehack.com/story/univet-a-framework-for-text-to-speech-generation-based-on-a-given-voice-sample submitted by /u/analyticsindiam [link] [comments]  ( 41 min )

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Posted by Aviral Kumar, Student Researcher, and Sergey Levine, Research Scientist, Google Research Reinforcement learning (RL) algorithms can learn skills to solve decision-making tasks like playing games, enabling robots to pick up objects, or even optimizing microchip designs. However, running RL algorithms in the real world requires expensive active data collection. Pre-training on diverse datasets has proven to enable data-efficient fine-tuning for individual downstream tasks in natural language processing (NLP) and vision problems. In the same way that BERT or GPT-3 models provide general-purpose initialization for NLP, large RL–pre-trained models could provide general-purpose initialization for decision-making. So, we ask the question: Can we enable similar pre-training to accele…  ( 92 min )

Posted by Greg Corrado, Distinguished Scientist, and Yossi Matias, VP Engineering and Research, Google Research (This is Part 8 in our series of posts covering different topical areas of research at Google. You can find other posts in the series here.) Google’s focus on AI stems from the conviction that this transformational technology will benefit society through its capacity to assist, complement, and empower people in almost every field and sector. In no area is the magnitude of this opportunity greater than in the spheres of healthcare and medicine. Commensurate with our mission to demonstrate these societal benefits, Google Research’s programs in applied machine learning (ML) have helped place Alphabet among the top five most impactful corporate research institutions …  ( 94 min )

Let's assume for a minute one has: the necessary compute instances enough $ to cough up to rent those instances somewhere What are the latest "easy" solutions to get opt bloomz and flan-t5 hosted as API endpoints? I spent about 2 weeks trying to get seldon-core and MLServer to work with its huggingface wrapper. But I've lost hope at this point. There are so many parameters and tweaks one has to be mindful of and I feel like I'm behaving like a very crude operating system replacement when I pass a device_map to a python function to tell it how much ram to use for what instance. In what world can MS 95 manage 4 DIM DDR rams but in 2023, we cannot auto-assign model data to the right GPUs? So. What's the "right way" to do this? I am aware of This repo that has some "demos": https://github.com/huggingface/transformers-bloom-inference accelerate library: https://huggingface.co/docs/accelerate/index FlexGen: https://github.com/FMInference/FlexGen but that only works for opt and is not a model hosting solution but more of an academic PoC DeepSpeed, haven't looked deeply into this though Any pointers would be appreciated. We have a goal to get 2-3 models up and running as API endpoints in 2 weeks and I have a lot of ppl waiting for me to get this done... submitted by /u/johnhopiler [link] [comments]  ( 44 min )

Hey all! My name is Katie and I am studying a Fine Art honours degree in the UK. I am currently collecting data surrounding AI art for my final year dissertation. I am collating this information in the form of a survey. It would be greatly appreciated if you could take 5 minutes out your day to help me with my research. The questions relate to the public opinion on AI, the potential implications of the AI and future of AI technology being used within contemporary art practice. Thank you! https://docs.google.com/forms/d/e/1FAIpQLSeBsaQ6hrOjo0mJ5iP2KYPWBAfELA2sckskTptuzhtrVV0kKg/viewform?usp=sf_link submitted by /u/katiemrris [link] [comments]  ( 43 min )

I need to produce estimates for these metrics. I tried the torchmetrics implementation, however they’re giving me completely wrong results (I tried FID using the same dataset as both real and fake data and it gave me an incredibly high number). Are you guys aware of other available implementations? submitted by /u/ats678 [link] [comments]  ( 43 min )

​ Data synthetization in one picture I described the different parts here. submitted by /u/MLRecipes [link] [comments]  ( 42 min )

Paper: https://arxiv.org/abs/2302.11529 Twitter: https://twitter.com/seb_ruder/status/1628721434162765827 Website: https://www.modulardeeplearning.com/ Abstract: Transfer learning has recently become the dominant paradigm of machine learning. Pre-trained models fine-tuned for downstream tasks achieve better performance with fewer labelled examples. Nonetheless, it remains unclear how to develop models that specialise towards multiple tasks without incurring negative interference and that generalise systematically to non-identically distributed tasks. Modular deep learning has emerged as a promising solution to these challenges. In this framework, units of computation are often implemented as autonomous parameter-efficient modules. Information is conditionally routed to a subset of modules and subsequently aggregated. These properties enable positive transfer and systematic generalisation by separating computation from routing and updating modules locally. We offer a survey of modular architectures, providing a unified view over several threads of research that evolved independently in the scientific literature. Moreover, we explore various additional purposes of modularity, including scaling language models, causal inference and discovery, programme simulation, and hierarchical reinforcement learning. Finally, we report various concrete applications where modularity has been successfully deployed such as cross-lingual and cross-modal knowledge transfer. ​ https://preview.redd.it/oz02z33cwyja1.png?width=2045&format=png&auto=webp&s=28921eaf22012b1ea4dcebb6f0ab18d993c856d9 submitted by /u/Bioi_Paralleloi [link] [comments]  ( 43 min )

Hello everyone! I am currently working with a very small dataset (about 300 images) and I coded a DCGAN with Tensorflow in order to generate new "fake" images with the same distribution as the ~300 real images. I have been reading a lot of papers and the official implementation of FID (https://github.com/bioinf-jku/TTUR) and I always read "number of samples". Even here the papers states that FID is not reliable because is biased and talks about N being the number of samples and everything depends on that number. What I dont really understand is which samples is everyone referring to. I mean, are they the real samples or the fake? the sum? both? I want to calculate the FID between the ~300 real images (I cant use more, seems obvious but just saying) and a number of fake images I can generate with my network, but I am not sure how many samples (FAKE samples) to use. The logic tells me that I should use the same number of samples for both real and fake images but idk. This is the number papers and the repository talks about? It makes sense to calculate FID for ~300 real samples versus 10k fake samples? Thank you in advance. submitted by /u/lazurro [link] [comments]  ( 44 min )

A simple question really but one that's pretty difficult to find an answer to: ​ Has anyone done much research into the performance of models vs their size as a function of the output space (and if so where can I find it)? Basically, it's quite clear that for most applications, generalisability of a model can either be achieved by improving the dataset or increasing the size of the model (if your dataset is already good). But because the way performance is measured in SOTA benchmarks it's not necessarily obvious (to me at least) that these larger models are appropriate for more simple problems. ​ Say I have a simple audio classification problem where I only have one class of interest. If I wanted to implement the latest SOTA models in sound classification I'm likely to end up trying to use some pretty large and complicated model architectures. What I would like to know is how does one use SOTA benchmarks to inform their decisions for architectures in the face of tasks that are significantly simpler than those that are used to evaluate the performance of models on these benchmarks? ​ It feels like the simple answer is to just start simple and scale up as required but this does feel somewhat like trial and error so it would be great to hear how other people approach this sort of problem... submitted by /u/Fine-Topic-6127 [link] [comments]  ( 45 min )

Hello, any personal favourites for drawing/visualising neural networks and transformers? With a colleague we are doing some tutorials/slides and would be very useful if there was a tool (python, latex, GUI, anything) that could help us do this, so that we can annotate on them after. Since it will be a teaching tool, clean and visually pleasing drawings would be awesome. Would prefer a tool where we can specify the number of nodes/layers/etc and the node size and colour etc, and not something that simply draws a model from Keras/PyTorch without much adaptability. Thanks in advance! submitted by /u/CHvader [link] [comments]  ( 43 min )

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"Hotter take: ML would have advanced faster if another front-end language had been available and widely adopted instead of Python. One that is interactive yet fast & compilable, multithreaded (no GIL), isn't bloated, doesn't care about white spaces,... E.g. Julia or some Lisp." Link from the original tweet submitted by /u/Marcapiel [link] [comments]  ( 60 min )

The ELECTRA paper introduces a small version that has around 15M parameters. MobileBERT and TinyBERT also have around the same number of parameters. Are there any other language models out there that are smaller? Would it be possible to further distill large models into smaller variants? submitted by /u/Seankala [link] [comments]  ( 44 min )

I'm thinking about building an open source library to generate structured ml datasets from sources across the internet. I know that lots of projects utilise crawlers to get decent datasets, while you might still need to create your own for specific use cases I'm wondering whether it'd be useful to have an open source library that lets you launch crawlers with predefined schemas for popular sources like LinkedIn, YouTube (I know yt also has an api), shopify stores, twitter, reddit, news sites and more. Kind of like a unified interface with extendable starter templates. The lib would dump json objects into a location you specify, like your local machine, mongo, or s3. Something like: { title: some video, source: https//youtube.com/jfg78, views: 245676, comments: {} Goal would be to make it easier/faster to get datasets from sources that don't natively have an api. This might be a useless idea, but would love to hear your thoughts. submitted by /u/dmart89 [link] [comments]  ( 44 min )

Over the last 10 years, a number of players have developed autonomous vehicle (AV) systems using deep neural networks (DNNs). These systems have evolved from simple rule-based systems to Advanced Driver Assistance Systems (ADAS) and fully autonomous vehicles. These systems require petabytes of data and thousands of compute units (vCPUs and GPUs) to train. This […]  ( 11 min )

I've done a brief search online because I'm thinking about trying to build a model that predicts political bias in news articles. Somebody must have done this before. However, as far as I can tell (total beginner) all approaches involve humans labeling news sources according to their political bias. I guess that's what they mean by supervised learning? Maybe I'm too naive or just don't understand how this works, but: Isn't there a way to achieve this without having humans assess the political bias of news sources prior to learning? As far as I understand, we can detect patterns in natural language using some unsupervised algorithm. It should - in theory - be able to detect differences between groupings of articles and cluster them together. If there really is political bias in news outlets that separates them, the clusters of articles should more or less correspond to clusters of news outlets, right? If not: Why can we detect topics in this unsupervised way? I'm really curious how someone would approach this who knows their stuff. Happy to hear your thoughts on this and why my thinking probably is wrong! submitted by /u/mgwmppm [link] [comments]  ( 44 min )

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https://www.legoscript.com/we-will-die-if-not-careful submitted by /u/pyactee [link] [comments]  ( 44 min )

What’s everyone’s opinion on these two networks, is there a data set threshold that if exceeded you prefer LSTM over MLP? submitted by /u/Agile-Calendar4778 [link] [comments]  ( 42 min )

Dear all, I have a background in AI, but not specifically RF. I have started doing some experiments with deep Q learning, and for better understanding, I do not want to use a library but implement it from scratch (well, I will use TensorFlow for the deep network, but the RF part is from scratch). There are many tutorials around, but most of them just call some library, and/ or use one of the well-studied examples such as cart pole. I studied these examples, but they are not very helpful to get it work for an individual example. For my understanding, I have a question. Is it correct that compared to classification or regression tasks, there is basically a second source of inaccuracy?- The first one is the same as always. The network does not necessarily learn the distribution correctly. N…  ( 45 min )

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I figure some algorithms differ greatly in computational complexity so # episodes isn't necessarily a fair comparison. Anyone have sources to compare by runtime they can share? submitted by /u/JustTaxLandLol [link] [comments]  ( 41 min )

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Discover the top 5 uses of UI/UX design in 2023. Engage your users, increase conversion rates, and boost ROI with better user experiences. The post Maximizing Business Success with UI/UX Design: The Top 5 Advantages appeared first on Data Science Central.  ( 20 min )

The do-it-yourself climate modeling movement is here. Researchers from Northwestern University and Argonne National Laboratory have been launching NVIDIA Jetson-driven edge computing Waggle devices across the globe to collect hyper-local climate information. Waggle is an open source sensor platform for edge computing developed by Argonne. Working with this, scientists share open-source AI code designed for Read article >  ( 6 min )

A million developers across the globe are now using the NVIDIA Jetson platform for edge AI and robotics to build innovative technologies. Plus, more than 6,000 companies — a third of which are startups — have integrated the platform with their products. These milestones and more will be celebrated during the NVIDIA Jetson Edge AI Read article >  ( 6 min )

To drive the automotive industry forward, NVIDIA and Mercedes-Benz are taking the virtual road. NVIDIA founder and CEO Jensen Huang joined Mercedes-Benz CEO Ola Källenius on stage at the automaker’s strategy update event yesterday in Silicon Valley, showcasing progress in their landmark partnership to digitalize the entire product lifecycle, plus the ownership and automated driving Read article >  ( 6 min )

The cloud just got bigger. NVIDIA and Microsoft announced this week they’re working to bring top PC Xbox Game Studios games to the GeForce NOW library, including titles from Bethesda, Mojang Studios and Activision, pending closure of Microsoft’s acquisition. With six new games joining the cloud this week for members to stream, it’s a jam-packed Read article >  ( 5 min )

Epilepsy is a chronic neurological disorder that affects a significant portion of the human population and imposes serious risks in the daily life of patients. Despite advances in machine learning and IoT, small, nonstigmatizing wearable devices for continuous monitoring and detection in outpatient environments are not yet available. Part of the reason is the complexity of epilepsy itself, including highly imbalanced data, multimodal nature, and very subject-specific signatures. However, another problem is the heterogeneity of methodological approaches in research, leading to slower progress, difficulty comparing results, and low reproducibility. Therefore, this article identifies a wide range of methodological decisions that must be made and reported when training and evaluating the performance of epilepsy detection systems. We characterize the influence of individual choices using a typical ensemble random-forest model and the publicly available CHB-MIT database, providing a broader picture of each decision and giving good-practice recommendations, based on our experience, where possible.  ( 2 min )

This paper studies graph-structured prediction for supervised learning on graphs with node-wise or edge-wise target dependencies. To solve this problem, recent works investigated combining graph neural networks (GNNs) with conventional structured prediction algorithms like conditional random fields. However, in this work, we pursue an alternative direction building on the recent successes of diffusion probabilistic models (DPMs). That is, we propose a new framework using DPMs to make graph-structured predictions. In the fully supervised setting, our DPM captures the target dependencies by iteratively updating each target estimate based on the estimates of nearby targets. We also propose a variational expectation maximization algorithm to train our DPM in the semi-supervised setting. Extensive experiments verify that our framework consistently outperforms existing neural structured prediction models on inductive and transductive node classification. We also demonstrate the competitive performance of our framework for algorithmic reasoning tasks.  ( 2 min )

Safety in goal directed Reinforcement Learning (RL) settings has typically been handled through constraints over trajectories and have demonstrated good performance in primarily short horizon tasks (goal is not too far away). In this paper, we are specifically interested in the problem of solving temporally extended decision making problems such as (1) robots that have to clean different areas in a house while avoiding slippery and unsafe areas (e.g., stairs) and retaining enough charge to move to a charging dock; (2) autonomous electric vehicles that have to reach a far away destination while having to optimize charging locations along the way; in the presence of complex safety constraints. Our key contribution is a (safety) Constrained Planning with Reinforcement Learning (CoP-RL) mechanism that combines a high-level constrained planning agent (which computes a reward maximizing path from a given start to a far away goal state while satisfying cost constraints) with a low-level goal conditioned RL agent (which estimates cost and reward values to move between nearby states). A major advantage of CoP-RL is that it can handle constraints on the cost value distribution (e.g., on Conditional Value at Risk, CVaR, and also on expected value). We perform extensive experiments with different types of safety constraints to demonstrate the utility of our approach over leading best approaches in constrained and hierarchical RL.  ( 2 min )

Federated learning enables edge devices to train a global model collaboratively without exposing their data. Despite achieving outstanding advantages in computing efficiency and privacy protection, federated learning faces a significant challenge when dealing with non-IID data, i.e., data generated by clients that are typically not independent and identically distributed. In this paper, we tackle a new type of Non-IID data, called cluster-skewed non-IID, discovered in actual data sets. The cluster-skewed non-IID is a phenomenon in which clients can be grouped into clusters with similar data distributions. By performing an in-depth analysis of the behavior of a classification model's penultimate layer, we introduce a metric that quantifies the similarity between two clients' data distributions without violating their privacy. We then propose an aggregation scheme that guarantees equality between clusters. In addition, we offer a novel local training regularization based on the knowledge-distillation technique that reduces the overfitting problem at clients and dramatically boosts the training scheme's performance. We theoretically prove the superiority of the proposed aggregation over the benchmark FedAvg. Extensive experimental results on both standard public datasets and our in-house real-world dataset demonstrate that the proposed approach improves accuracy by up to 16% compared to the FedAvg algorithm.  ( 2 min )

LU-Net is a simple and fast architecture for invertible neural networks (INN) that is based on the factorization of quadratic weight matrices $\mathsf{A=LU}$, where $\mathsf{L}$ is a lower triangular matrix with ones on the diagonal and $\mathsf{U}$ an upper triangular matrix. Instead of learning a fully occupied matrix $\mathsf{A}$, we learn $\mathsf{L}$ and $\mathsf{U}$ separately. If combined with an invertible activation function, such layers can easily be inverted whenever the diagonal entries of $\mathsf{U}$ are different from zero. Also, the computation of the determinant of the Jacobian matrix of such layers is cheap. Consequently, the LU architecture allows for cheap computation of the likelihood via the change of variables formula and can be trained according to the maximum likelihood principle. In our numerical experiments, we test the LU-net architecture as generative model on several academic datasets. We also provide a detailed comparison with conventional invertible neural networks in terms of performance, training as well as run time.  ( 2 min )

Adversarial patch attacks are an emerging security threat for real world deep learning applications. We present Demasked Smoothing, the first approach (up to our knowledge) to certify the robustness of semantic segmentation models against this threat model. Previous work on certifiably defending against patch attacks has mostly focused on image classification task and often required changes in the model architecture and additional training which is undesirable and computationally expensive. In Demasked Smoothing, any segmentation model can be applied without particular training, fine-tuning, or restriction of the architecture. Using different masking strategies, Demasked Smoothing can be applied both for certified detection and certified recovery. In extensive experiments we show that Demasked Smoothing can on average certify 64% of the pixel predictions for a 1% patch in the detection task and 48% against a 0.5% patch for the recovery task on the ADE20K dataset.  ( 2 min )

To understand how people interact with each other in collaborative settings, especially in situations where individuals know little about their teammates, Multiagent Inverse Reinforcement Learning (MIRL) aims to infer the reward functions guiding the behavior of each individual given trajectories of a team's behavior during task performance. Unlike current MIRL approaches, team members \emph{are not} assumed to know each other's goals a priori, rather they collaborate by adapting to the goals of others perceived by observing their behavior, all while jointly performing a task. To address this problem, we propose a novel approach to MIRL via Theory of Mind (MIRL-ToM). For each agent, we first use ToM reasoning to estimate a posterior distribution over baseline reward profiles given their demonstrated behavior. We then perform MIRL via decentralized equilibrium by employing single-agent Maximum Entropy IRL to infer a reward function for each agent, where we simulate the behavior of other teammates according to the time-varying distribution over profiles. We evaluate our approach in a simulated 2-player search-and-rescue operation where the goal of the agents, playing different roles, is to search for and evacuate victims in the environment. Results show that the choice of baseline profiles is paramount to the recovery of ground-truth rewards, and MIRL-ToM is able to recover the rewards used by agents interacting with either known and unknown teammates.  ( 2 min )

Class imbalance distribution widely exists in real-world engineering. However, the mainstream optimization algorithms that seek to minimize error will trap the deep learning model in sub-optimums when facing extreme class imbalance. It seriously harms the classification precision, especially on the minor classes. The essential reason is that the gradients of the classifier weights are imbalanced among the components from different classes. In this paper, we propose Attraction-Repulsion-Balanced Loss (ARB-Loss) to balance the different components of the gradients. We perform experiments on the large-scale classification and segmentation datasets and our ARB-Loss can achieve state-of-the-art performance via only one-stage training instead of 2-stage learning like nowadays SOTA works.  ( 2 min )

Learning from Label Proportions (LLP) is a weakly supervised learning method that aims to perform instance classification from training data consisting of pairs of bags containing multiple instances and the class label proportions within the bags. Previous studies on multiclass LLP can be divided into two categories according to the learning task: per-instance label classification and per-bag label proportion estimation. However, these methods often results in high variance estimates of the risk when applied to complex models, or lack statistical learning theory arguments. To address this issue, we propose new learning methods based on statistical learning theory for both per-instance and per-bag policies. We demonstrate that the proposed methods are respectively risk-consistent and classifier-consistent in an instance-wise manner, and analyze the estimation error bounds. Additionally, we present a heuristic approximation method that utilizes an existing method for regressing label proportions to reduce the computational complexity of the proposed methods. Through benchmark experiments, we demonstrated the effectiveness of the proposed methods.  ( 2 min )

We consider the problem of stochastic convex optimization with exp-concave losses using Empirical Risk Minimization in a convex class. Answering a question raised in several prior works, we provide a $O( d / n + \log( 1 / \delta) / n )$ excess risk bound valid for a wide class of bounded exp-concave losses, where $d$ is the dimension of the convex reference set, $n$ is the sample size, and $\delta$ is the confidence level. Our result is based on a unified geometric assumption on the gradient of losses and the notion of local norms.

The parameters of a machine learning model are typically learned by minimizing a loss function on a set of training data. However, this can come with the risk of overtraining; in order for the model to generalize well, it is of great importance that we are able to find the optimal parameter for the model on the entire population -- not only on the given training sample. In this paper, we construct valid confidence sets for this optimal parameter of a machine learning model, which can be generated using only the training data without any knowledge of the population. We then show that studying the distribution of this confidence set allows us to assign a notion of confidence to arbitrary regions of the parameter space, and we demonstrate that this distribution can be well-approximated using bootstrapping techniques.

Amyotrophic Lateral Sclerosis (ALS) is a complex neurodegenerative disorder involving motor neuron degeneration. Significant research has begun to establish brain magnetic resonance imaging (MRI) as a potential biomarker to diagnose and monitor the state of the disease. Deep learning has turned into a prominent class of machine learning programs in computer vision and has been successfully employed to solve diverse medical image analysis tasks. However, deep learning-based methods applied to neuroimaging have not achieved superior performance in ALS patients classification from healthy controls due to having insignificant structural changes correlated with pathological features. Therefore, the critical challenge in deep models is to determine useful discriminative features with limited training data. By exploiting the long-range relationship of image features, this study introduces a framework named SF2Former that leverages vision transformer architecture's power to distinguish the ALS subjects from the control group. To further improve the network's performance, spatial and frequency domain information are combined because MRI scans are captured in the frequency domain before being converted to the spatial domain. The proposed framework is trained with a set of consecutive coronal 2D slices, which uses the pre-trained weights on ImageNet by leveraging transfer learning. Finally, a majority voting scheme has been employed to those coronal slices of a particular subject to produce the final classification decision. Our proposed architecture has been thoroughly assessed with multi-modal neuroimaging data using two well-organized versions of the Canadian ALS Neuroimaging Consortium (CALSNIC) multi-center datasets. The experimental results demonstrate the superiority of our proposed strategy in terms of classification accuracy compared with several popular deep learning-based techniques.

Query Rewriting (QR) plays a critical role in large-scale dialogue systems for reducing frictions. When there is an entity error, it imposes extra challenges for a dialogue system to produce satisfactory responses. In this work, we propose KG-ECO: Knowledge Graph enhanced Entity COrrection for query rewriting, an entity correction system with corrupt entity span detection and entity retrieval/re-ranking functionalities.To boost the model performance, we incorporate Knowledge Graph (KG) to provide entity structural information (neighboring entities encoded by graph neural networks) and textual information (KG entity descriptions encoded by RoBERTa). Experimental results show that our approach yields a clear performance gain over two baselines: utterance level QR and entity correction without utilizing KG information. The proposed system is particularly effective for few-shot learning cases where target entities are rarely seen in training or there is a KG relation between the target entity and other contextual entities in the query.

In the last two decades, the combination of machine learning and quantum computing has been an ever-growing topic of interest but, to this date, the limitations of quantum computing hardware have somewhat restricted the use of complex multi-qubit operations for machine learning. In this paper, we capitalize on the cyclical nature of quantum state probabilities observed on pulsed qubits to propose a single-qubit feed forward block whose architecture allows for classical parameters to be used in a way similar to classical neural networks. To do this, we modulate the pulses exciting qubits to induce superimposed rotations around the Bloch Sphere. The approach presented here has the advantage of employing a single qubit per block. Thus, it is linear with respect to the number of blocks, not polynomial with respect to the number of neurons as opposed to the majority of methods elsewhere. Further, since it employs classical parameters, a large number of iterations and updates at training can be effected without dwelling on coherence times and the gradients can be reused and stored if necessary. We also show how an analogy can be drawn to neural networks using sine-squared activation functions and illustrate how the feed-forward block presented here may be used and implemented on pulse-enabled quantum computers.

We propose a three-stage training strategy called dual pseudo training (DPT) for conditional image generation and classification in semi-supervised learning. First, a classifier is trained on partially labeled data and predicts pseudo labels for all data. Second, a conditional generative model is trained on all data with pseudo labels and generates pseudo images given labels. Finally, the classifier is trained on real data augmented by pseudo images with labels. We demonstrate large-scale diffusion models and semi-supervised learners benefit mutually with a few labels via DPT. In particular, on the ImageNet 256x256 generation benchmark, DPT can generate realistic, diverse, and semantically correct images with very few labels. With two (i.e., < 0.2%) and five (i.e., < 0.4%) labels per class, DPT achieves an FID of 3.44 and 3.37 respectively, outperforming strong diffusion models with full labels, such as IDDPM, CDM, ADM, and LDM. Besides, DPT outperforms competitive semi-supervised baselines substantially on ImageNet classification benchmarks with one, two, and five labels per class, achieving state-of-the-art top-1 accuracies of 59.0 (+2.8), 69.5 (+3.0), and 73.6 (+1.2) respectively.

In this paper, a novel robotic grasping system is established to automatically pick up objects in cluttered scenes. A composite robotic hand composed of a suction cup and a gripper is designed for grasping the object stably. The suction cup is used for lifting the object from the clutter first and the gripper for grasping the object accordingly. We utilize the affordance map to provide pixel-wise lifting point candidates for the suction cup. To obtain a good affordance map, the active exploration mechanism is introduced to the system. An effective metric is designed to calculate the reward for the current affordance map, and a deep Q-Network (DQN) is employed to guide the robotic hand to actively explore the environment until the generated affordance map is suitable for grasping. Experimental results have demonstrated that the proposed robotic grasping system is able to greatly increase the success rate of the robotic grasping in cluttered scenes.

Pareto Front Learning (PFL) was recently introduced as an effective approach to obtain a mapping function from a given trade-off vector to a solution on the Pareto front, which solves the multi-objective optimization (MOO) problem. Due to the inherent trade-off between conflicting objectives, PFL offers a flexible approach in many scenarios in which the decision makers can not specify the preference of one Pareto solution over another, and must switch between them depending on the situation. However, existing PFL methods ignore the relationship between the solutions during the optimization process, which hinders the quality of the obtained front. To overcome this issue, we propose a novel PFL framework namely PHN-HVI, which employs a hypernetwork to generate multiple solutions from a set of diverse trade-off preferences and enhance the quality of the Pareto front by maximizing the Hypervolume indicator defined by these solutions. The experimental results on several MOO machine learning tasks show that the proposed framework significantly outperforms the baselines in producing the trade-off Pareto front.  ( 2 min )

Feedforward neural networks (FNNs) can be viewed as non-linear regression models, where covariates enter the model through a combination of weighted summations and non-linear functions. Although these models have some similarities to the models typically used in statistical modelling, the majority of neural network research has been conducted outside of the field of statistics. This has resulted in a lack of statistically-based methodology, and, in particular, there has been little emphasis on model parsimony. Determining the input layer structure is analogous to variable selection, while the structure for the hidden layer relates to model complexity. In practice, neural network model selection is often carried out by comparing models using out-of-sample performance. However, in contrast, the construction of an associated likelihood function opens the door to information-criteria-based variable and architecture selection. A novel model selection method, which performs both input- and hidden-node selection, is proposed using the Bayesian information criterion (BIC) for FNNs. The choice of BIC over out-of-sample performance as the model selection objective function leads to an increased probability of recovering the true model, while parsimoniously achieving favourable out-of-sample performance. Simulation studies are used to evaluate and justify the proposed method, and applications on real data are investigated.  ( 2 min )

Neural networks have shown great potential in accelerating the solution of partial differential equations (PDEs). Recently, there has been a growing interest in introducing physics constraints into training neural PDE solvers to reduce the use of costly data and improve the generalization ability. However, these physics constraints, based on certain finite dimensional approximations over the function space, must resolve the smallest scaled physics to ensure the accuracy and stability of the simulation, resulting in high computational costs from large input, output, and neural networks. This paper proposes a general acceleration methodology called NeuralStagger by spatially and temporally decomposing the original learning tasks into several coarser-resolution subtasks. We define a coarse-resolution neural solver for each subtask, which requires fewer computational resources, and jointly train them with the vanilla physics-constrained loss by simply arranging their outputs to reconstruct the original solution. Due to the perfect parallelism between them, the solution is achieved as fast as a coarse-resolution neural solver. In addition, the trained solvers bring the flexibility of simulating with multiple levels of resolution. We demonstrate the successful application of NeuralStagger on 2D and 3D fluid dynamics simulations, which leads to an additional $10\sim100\times$ speed-up. Moreover, the experiment also shows that the learned model could be well used for optimal control.

In recent years, large amounts of electronic health records (EHRs) concerning chronic diseases, such as cancer, diabetes, and mental disease, have been collected to facilitate medical diagnosis. Modeling the dynamic properties of EHRs related to chronic diseases can be efficiently done using dynamic treatment regimes (DTRs), which are a set of sequential decision rules. While Reinforcement learning (RL) is a widely used method for creating DTRs, there is ongoing research in developing RL algorithms that can effectively handle large amounts of data. In this paper, we present a novel approach, a distributed Q-learning algorithm, for generating DTRs. The novelties of our research are as follows: 1) From a methodological perspective, we present a novel and scalable approach for generating DTRs by combining distributed learning with Q-learning. The proposed approach is specifically designed to handle large amounts of data and effectively generate DTRs. 2) From a theoretical standpoint, we provide generalization error bounds for the proposed distributed Q-learning algorithm, which are derived within the framework of statistical learning theory. These bounds quantify the relationships between sample size, prediction accuracy, and computational burden, providing insights into the performance of the algorithm. 3) From an applied perspective, we demonstrate the effectiveness of our proposed distributed Q-learning algorithm for DTRs by applying it to clinical cancer treatments. The results show that our algorithm outperforms both traditional linear Q-learning and commonly used deep Q-learning in terms of both prediction accuracy and computation cost.

We propose a visualization technique that utilizes neural network embeddings and a generative network to reconstruct original data. This method allows for independent manipulation of individual image embeddings through its non-parametric structure, providing more flexibility than traditional autoencoder approaches. We have evaluated the effectiveness of this technique in data visualization and compared it to t-SNE and VAE methods. Furthermore, we have demonstrated the scalability of our method through visualizations on the ImageNet dataset. Our technique has potential applications in human-in-the-loop training, as it allows for independent editing of embedding locations without affecting the optimization process.

In this paper, we propose a unified framework of denoising score-based models in the context of graduated non-convex energy minimization. We show that for sufficiently large noise variance, the associated negative log density -- the energy -- becomes convex. Consequently, denoising score-based models essentially follow a graduated non-convexity heuristic. We apply this framework to learning generalized Fields of Experts image priors that approximate the joint density of noisy images and their associated variances. These priors can be easily incorporated into existing optimization algorithms for solving inverse problems and naturally implement a fast and robust graduated non-convexity mechanism.

We introduce a new setting, the category of $\omega$PAP spaces, for reasoning denotationally about expressive differentiable and probabilistic programming languages. Our semantics is general enough to assign meanings to most practical probabilistic and differentiable programs, including those that use general recursion, higher-order functions, discontinuous primitives, and both discrete and continuous sampling. But crucially, it is also specific enough to exclude many pathological denotations, enabling us to establish new results about both deterministic differentiable programs and probabilistic programs. In the deterministic setting, we prove very general correctness theorems for automatic differentiation and its use within gradient descent. In the probabilistic setting, we establish the almost-everywhere differentiability of probabilistic programs' trace density functions, and the existence of convenient base measures for density computation in Monte Carlo inference. In some cases these results were previously known, but required detailed proofs with an operational flavor; by contrast, all our proofs work directly with programs' denotations.

We consider the problem of reconstructing a full 360{\deg} photographic model of an object from a single image of it. We do so by fitting a neural radiance field to the image, but find this problem to be severely ill-posed. We thus take an off-the-self conditional image generator based on diffusion and engineer a prompt that encourages it to ``dream up'' novel views of the object. Using an approach inspired by DreamFields and DreamFusion, we fuse the given input view, the conditional prior, and other regularizers in a final, consistent reconstruction. We demonstrate state-of-the-art reconstruction results on benchmark images when compared to prior methods for monocular 3D reconstruction of objects. Qualitatively, our reconstructions provide a faithful match of the input view and a plausible extrapolation of its appearance and 3D shape, including to the side of the object not visible in the image.

In response to an object presentation, supervised learning schemes generally respond with a parsimonious label. Upon a similar presentation we humans respond again with a label, but are flooded, in addition, by a myriad of associations. A significant portion of these consist of the presented object attributes. Contrastive learning is a semi-supervised learning scheme based on the application of identity preserving transformations on the object input representations. It is conjectured in this work that these same applied transformations preserve, in addition to the identity of the presented object, also the identity of its semantically meaningful attributes. The corollary of this is that the output representations of such a contrastive learning scheme contain valuable information not only for the classification of the presented object, but also for the presence or absence decision of any attribute of interest. Simulation results which demonstrate this idea and the feasibility of this conjecture are presented.

Graph Neural Networks (GNNs) have been applied to many problems in computer sciences. Capturing higher-order relationships between nodes is crucial to increase the expressive power of GNNs. However, existing methods to capture these relationships could be infeasible for large-scale graphs. In this work, we introduce a new higher-order sparse convolution based on the Sobolev norm of graph signals. Our Sparse Sobolev GNN (S-SobGNN) computes a cascade of filters on each layer with increasing Hadamard powers to get a more diverse set of functions, and then a linear combination layer weights the embeddings of each filter. We evaluate S-SobGNN in several applications of semi-supervised learning. S-SobGNN shows competitive performance in all applications as compared to several state-of-the-art methods.

In this paper we present SurvLIMEpy, an open-source Python package that implements the SurvLIME algorithm. This method allows to compute local feature importance for machine learning algorithms designed for modelling Survival Analysis data. Our implementation takes advantage of the parallelisation paradigm as all computations are performed in a matrix-wise fashion which speeds up execution time. Additionally, SurvLIMEpy assists the user with visualization tools to better understand the result of the algorithm. The package supports a wide variety of survival models, from the Cox Proportional Hazards Model to deep learning models such as DeepHit or DeepSurv. Two types of experiments are presented in this paper. First, by means of simulated data, we study the ability of the algorithm to capture the importance of the features. Second, we use three open source survival datasets together with a set of survival algorithms in order to demonstrate how SurvLIMEpy behaves when applied to different models.

In this paper, we tackle the problem of Unmanned Aerial (UA V) path planning in complex and uncertain environments by designing a Model Predictive Control (MPC), based on a Long-Short-Term Memory (LSTM) network integrated into the Deep Deterministic Policy Gradient algorithm. In the proposed solution, LSTM-MPC operates as a deterministic policy within the DDPG network, and it leverages a predicting pool to store predicted future states and actions for improved robustness and efficiency. The use of the predicting pool also enables the initialization of the critic network, leading to improved convergence speed and reduced failure rate compared to traditional reinforcement learning and deep reinforcement learning methods. The effectiveness of the proposed solution is evaluated by numerical simulations.

OpenAI has released the Chat Generative Pre-trained Transformer (ChatGPT) and revolutionized the approach in artificial intelligence to human-model interaction. The first contact with the chatbot reveals its ability to provide detailed and precise answers in various areas. There are several publications on ChatGPT evaluation, testing its effectiveness on well-known natural language processing (NLP) tasks. However, the existing studies are mostly non-automated and tested on a very limited scale. In this work, we examined ChatGPT's capabilities on 25 diverse analytical NLP tasks, most of them subjective even to humans, such as sentiment analysis, emotion recognition, offensiveness and stance detection, natural language inference, word sense disambiguation, linguistic acceptability and question answering. We automated ChatGPT's querying process and analyzed more than 38k responses. Our comparison of its results with available State-of-the-Art (SOTA) solutions showed that the average loss in quality of the ChatGPT model was about 25% for zero-shot and few-shot evaluation. We showed that the more difficult the task (lower SOTA performance), the higher the ChatGPT loss. It especially refers to pragmatic NLP problems like emotion recognition. We also tested the ability of personalizing ChatGPT responses for selected subjective tasks via Random Contextual Few-Shot Personalization, and we obtained significantly better user-based predictions. Additional qualitative analysis revealed a ChatGPT bias, most likely due to the rules imposed on human trainers by OpenAI. Our results provide the basis for a fundamental discussion of whether the high quality of recent predictive NLP models can indicate a tool's usefulness to society and how the learning and validation procedures for such systems should be established.

We introduce a gradient-based approach for the problem of Bayesian optimal experimental design to learn causal models in a batch setting -- a critical component for causal discovery from finite data where interventions can be costly or risky. Existing methods rely on greedy approximations to construct a batch of experiments while using black-box methods to optimize over a single target-state pair to intervene with. In this work, we completely dispose of the black-box optimization techniques and greedy heuristics and instead propose a conceptually simple end-to-end gradient-based optimization procedure to acquire a set of optimal intervention target-state pairs. Such a procedure enables parameterization of the design space to efficiently optimize over a batch of multi-target-state interventions, a setting which has hitherto not been explored due to its complexity. We demonstrate that our proposed method outperforms baselines and existing acquisition strategies in both single-target and multi-target settings across a number of synthetic datasets.

Density Ratio Estimation (DRE) is an important machine learning technique with many downstream applications. We consider the challenge of DRE with missing not at random (MNAR) data. In this setting, we show that using standard DRE methods leads to biased results while our proposal (M-KLIEP), an adaptation of the popular DRE procedure KLIEP, restores consistency. Moreover, we provide finite sample estimation error bounds for M-KLIEP, which demonstrate minimax optimality with respect to both sample size and worst-case missingness. We then adapt an important downstream application of DRE, Neyman-Pearson (NP) classification, to this MNAR setting. Our procedure both controls Type I error and achieves high power, with high probability. Finally, we demonstrate promising empirical performance both synthetic data and real-world data with simulated missingness.

Large-scale volumetric medical images with annotation are rare, costly, and time prohibitive to acquire. Self-supervised learning (SSL) offers a promising pre-training and feature extraction solution for many downstream tasks, as it only uses unlabeled data. Recently, SSL methods based on instance discrimination have gained popularity in the medical imaging domain. However, SSL pre-trained encoders may use many clues in the image to discriminate an instance that are not necessarily disease-related. Moreover, pathological patterns are often subtle and heterogeneous, requiring the ability of the desired method to represent anatomy-specific features that are sensitive to abnormal changes in different body parts. In this work, we present a novel SSL framework, named DrasCLR, for 3D medical imaging to overcome these challenges. We propose two domain-specific contrastive learning strategies: one aims to capture subtle disease patterns inside a local anatomical region, and the other aims to represent severe disease patterns that span larger regions. We formulate the encoder using conditional hyper-parameterized network, in which the parameters are dependant on the anatomical location, to extract anatomically sensitive features. Extensive experiments on large-scale computer tomography (CT) datasets of lung images show that our method improves the performance of many downstream prediction and segmentation tasks. The patient-level representation improves the performance of the patient survival prediction task. We show how our method can detect emphysema subtypes via dense prediction. We demonstrate that fine-tuning the pre-trained model can significantly reduce annotation efforts without sacrificing emphysema detection accuracy. Our ablation study highlights the importance of incorporating anatomical context into the SSL framework.

A common problem when forecasting rare events, such as recessions, is limited data availability. Recent advancements in deep learning and generative adversarial networks (GANs) make it possible to produce high-fidelity synthetic data in large quantities. This paper uses a model called DoppelGANger, a GAN tailored to producing synthetic time series data, to generate synthetic Treasury yield time series and associated recession indicators. It is then shown that short-range forecasting performance for Treasury yields is improved for models trained on synthetic data relative to models trained only on real data. Finally, synthetic recession conditions are produced and used to train classification models to predict the probability of a future recession. It is shown that training models on synthetic recessions can improve a model's ability to predict future recessions over a model trained only on real data.

Uncontrolled spacecraft will disintegrate and generate a large amount of debris in the reentry process, and ablative debris may cause potential risks to the safety of human life and property on the ground. Therefore, predicting the landing points of spacecraft debris and forecasting the degree of risk of debris to human life and property is very important. In view that it is difficult to predict the process of reentry process and the reentry point in advance, and the debris generated from reentry disintegration may cause ground damage for the uncontrolled space vehicle on expiration of service. In this paper, we adopt the object-oriented approach to consider the spacecraft and its disintegrated components as consisting of simple basic geometric models, and introduce three machine learning models: the support vector regression (SVR), decision tree regression (DTR) and multilayer perceptron (MLP) to predict the velocity, longitude and latitude of spacecraft debris landing points for the first time. Then, we compare the prediction accuracy of the three models. Furthermore, we define the reentry risk and the degree of danger, and we calculate the risk level for each spacecraft debris and make warnings accordingly. The experimental results show that the proposed method can obtain high accuracy prediction results in at least 15 seconds and make safety level warning more real-time.

Vehicle insurance claims size prediction needs methods to efficiently handle these claims. Machine learning (ML) is one of the methods that solve this problem. Tree-based ensemble learning algorithms are highly effective and widely used ML methods. This study considers how vehicle insurance providers incorporate ML methods in their companies and explores how the models can be applied to insurance big data. We utilize various tree-based ML methods, such as bagging, random forest, and gradient boosting, to determine the relative importance of predictors in predicting claims size and to explore the relationships between claims size and predictors. Furthermore, we evaluate and compare these models' performances. The results show that tree-based ensemble methods are better than the classical least square method. Keywords: claims size prediction; machine learning; tree-based ensemble methods; vehicle insurance.

Explainable artificial intelligence is increasingly used in machine learning (ML) based decision-making systems in healthcare. However, little research has compared the utility of different explanation methods in guiding healthcare experts for patient care. Moreover, it is unclear how useful, understandable, actionable and trustworthy these methods are for healthcare experts, as they often require technical ML knowledge. This paper presents an explanation dashboard that predicts the risk of diabetes onset and explains those predictions with data-centric, feature-importance, and example-based explanations. We designed an interactive dashboard to assist healthcare experts, such as nurses and physicians, in monitoring the risk of diabetes onset and recommending measures to minimize risk. We conducted a qualitative study with 11 healthcare experts and a mixed-methods study with 45 healthcare experts and 51 diabetic patients to compare the different explanation methods in our dashboard in terms of understandability, usefulness, actionability, and trust. Results indicate that our participants preferred our representation of data-centric explanations that provide local explanations with a global overview over other methods. Therefore, this paper highlights the importance of visually directive data-centric explanation method for assisting healthcare experts to gain actionable insights from patient health records. Furthermore, we share our design implications for tailoring the visual representation of different explanation methods for healthcare experts.

Intrinsically disordered proteins participate in many biological processes by folding upon binding with other proteins. However, coupled folding and binding processes are not well understood from an atomistic point of view. One of the main questions is whether folding occurs prior to or after binding. Here we use a novel unbiased high-throughput adaptive sampling approach to reconstruct the binding and folding between the disordered transactivation domain of \mbox{c-Myb} and the KIX domain of the CREB-binding protein. The reconstructed long-term dynamical process highlights the binding of a short stretch of amino acids on \mbox{c-Myb} as a folded $\alpha$-helix. Leucine residues, specially Leu298 to Leu302, establish initial native contacts that prime the binding and folding of the rest of the peptide, with a mixture of conformational selection on the N-terminal region with an induced fit of the C-terminal.

Federated learning is an emerging distributed machine learning framework which jointly trains a global model via a large number of local devices with data privacy protections. Its performance suffers from the non-vanishing biases introduced by the local inconsistent optimal and the rugged client-drifts by the local over-fitting. In this paper, we propose a novel and practical method, FedSpeed, to alleviate the negative impacts posed by these problems. Concretely, FedSpeed applies the prox-correction term on the current local updates to efficiently reduce the biases introduced by the prox-term, a necessary regularizer to maintain the strong local consistency. Furthermore, FedSpeed merges the vanilla stochastic gradient with a perturbation computed from an extra gradient ascent step in the neighborhood, thereby alleviating the issue of local over-fitting. Our theoretical analysis indicates that the convergence rate is related to both the communication rounds $T$ and local intervals $K$ with a upper bound $\small \mathcal{O}(1/T)$ if setting a proper local interval. Moreover, we conduct extensive experiments on the real-world dataset to demonstrate the efficiency of our proposed FedSpeed, which performs significantly faster and achieves the state-of-the-art (SOTA) performance on the general FL experimental settings than several baselines including FedAvg, FedProx, FedCM, FedAdam, SCAFFOLD, FedDyn, FedADMM, etc.

Deep networks are well-known to be fragile to adversarial attacks, and adversarial training is one of the most popular methods used to train a robust model. To take advantage of unlabeled data, recent works have applied adversarial training to contrastive learning (Adversarial Contrastive Learning; ACL for short) and obtain promising robust performance. However, the theory of ACL is not well understood. To fill this gap, we leverage the Rademacher complexity to analyze the generalization performance of ACL, with a particular focus on linear models and multi-layer neural networks under $\ell_p$ attack ($p \ge 1$). Our theory shows that the average adversarial risk of the downstream tasks can be upper bounded by the adversarial unsupervised risk of the upstream task. The experimental results validate our theory.

Photorealistic image generation from simulated label maps are necessitated in several contexts, such as for medical training in virtual reality. With conventional deep learning methods, this task requires images that are paired with semantic annotations, which typically are unavailable. We introduce a contrastive learning framework for generating photorealistic images from simulated label maps, by learning from unpaired sets of both. Due to potentially large scene differences between real images and label maps, existing unpaired image translation methods lead to artifacts of scene modification in synthesized images. We utilize simulated images as surrogate targets for a contrastive loss, while ensuring consistency by utilizing features from a reverse translation network. Our method enables bidirectional label-image translations, which is demonstrated in a variety of scenarios and datasets, including laparoscopy, ultrasound, and driving scenes. By comparing with state-of-the-art unpaired translation methods, our proposed method is shown to generate realistic and scene-accurate translations.

Unsupervised learning with functional data is an emerging paradigm of machine learning research with applications to computer vision, climate modeling and physical systems. A natural way of modeling functional data is by learning operators between infinite dimensional spaces, leading to discretization invariant representations that scale independently of the sample grid resolution. Here we present Variational Autoencoding Neural Operators (VANO), a general strategy for making a large class of operator learning architectures act as variational autoencoders. For this purpose, we provide a novel rigorous mathematical formulation of the variational objective in function spaces for training. VANO first maps an input function to a distribution over a latent space using a parametric encoder and then decodes a sample from the latent distribution to reconstruct the input, as in classic variational autoencoders. We test VANO with different model set-ups and architecture choices for a variety of benchmarks. We start from a simple Gaussian random field where we can analytically track what the model learns and progressively transition to more challenging benchmarks including modeling phase separation in Cahn-Hilliard systems and real world satellite data for measuring Earth surface deformation.

This paper studies how to develop accurate and interpretable time series classification (TSC) models with the help of external data in a privacy-preserving federated learning (FL) scenario. To the best of our knowledge, we are the first to study on this essential topic. Achieving this goal requires us to seamlessly integrate the techniques from multiple fields including Data Mining, Machine Learning, and Security. In this paper, we formulate the problem and identify the interpretability constraints under the FL setting. We systematically investigate existing TSC solutions for the centralized scenario and propose FedST, a novel FL-enabled TSC framework based on a shapelet transformation method. We recognize the federated shapelet search step as the kernel of FedST. Thus, we design FedSS-B, a basic protocol for the FedST kernel that we prove to be secure and accurate. Further, we identify the efficiency bottlenecks of the basic protocol and propose optimizations tailored for the FL setting for acceleration. Our theoretical analysis shows that the proposed optimizations are secure and more efficient. We conduct extensive experiments using both synthetic and real-world datasets. Empirical results show that our FedST solution is effective in terms of TSC accuracy, and the proposed optimizations can achieve three orders of magnitude of speedup.

Reconstructing the 3D shape of an object from a single RGB image is a long-standing and highly challenging problem in computer vision. In this paper, we propose a novel method for single-image 3D reconstruction which generates a sparse point cloud via a conditional denoising diffusion process. Our method takes as input a single RGB image along with its camera pose and gradually denoises a set of 3D points, whose positions are initially sampled randomly from a three-dimensional Gaussian distribution, into the shape of an object. The key to our method is a geometrically-consistent conditioning process which we call projection conditioning: at each step in the diffusion process, we project local image features onto the partially-denoised point cloud from the given camera pose. This projection conditioning process enables us to generate high-resolution sparse geometries that are well-aligned with the input image, and can additionally be used to predict point colors after shape reconstruction. Moreover, due to the probabilistic nature of the diffusion process, our method is naturally capable of generating multiple different shapes consistent with a single input image. In contrast to prior work, our approach not only performs well on synthetic benchmarks, but also gives large qualitative improvements on complex real-world data.

Data-centric prognostics is beneficial to improve the reliability and safety of proton exchange membrane fuel cell (PEMFC). For the prognostics of PEMFC operating under dynamic load, the challenges come from extracting degradation features, improving prediction accuracy, expanding the prognostics horizon, and reducing computational cost. To address these issues, this work proposes a data-driven PEMFC prognostics approach, in which Hilbert-Huang transform is used to extract health indicator in dynamic operating conditions and symbolic-based gated recurrent unit model is used to enhance the accuracy of life prediction. Comparing with other state-of-the-art methods, the proposed data-driven prognostics approach provides a competitive prognostics horizon with lower computational cost. The prognostics performance shows consistency and generalizability under different failure threshold settings.

The Boundary representation (B-rep) format is the de-facto shape representation in computer-aided design (CAD) to model solid and sheet objects. Recent approaches to generating CAD models have focused on learning sketch-and-extrude modeling sequences that are executed by a solid modeling kernel in postprocess to recover a B-rep. In this paper we present a new approach that enables learning from and synthesizing B-reps without the need for supervision through CAD modeling sequence data. Our method SolidGen, is an autoregressive neural network that models the B-rep directly by predicting the vertices, edges, and faces using Transformer-based and pointer neural networks. Key to achieving this is our Indexed Boundary Representation that references B-rep vertices, edges and faces in a well-defined hierarchy to capture the geometric and topological relations suitable for use with machine learning. SolidGen can be easily conditioned on contexts e.g., class labels, images, and voxels thanks to its probabilistic modeling of the B-rep distribution. We demonstrate qualitatively, quantitatively, and through perceptual evaluation by human subjects that SolidGen can produce high quality, realistic CAD models.  ( 2 min )

Object rearranging is one of the most common deformable manipulation tasks, where the robot needs to rearrange a deformable object into a goal configuration. Previous studies focus on designing an expert system for each specific task by model-based or data-driven approaches and the application scenarios are therefore limited. Some research has been attempting to design a general framework to obtain more advanced manipulation capabilities for deformable rearranging tasks, with lots of progress achieved in simulation. However, transferring from simulation to reality is difficult due to the limitation of the end-to-end CNN architecture. To address these challenges, we design a local GNN (Graph Neural Network) based learning method, which utilizes two representation graphs to encode keypoints detected from images. Self-attention is applied for graph updating and cross-attention is applied for generating manipulation actions. Extensive experiments have been conducted to demonstrate that our framework is effective in multiple 1-D (rope, rope ring) and 2-D (cloth) rearranging tasks in simulation and can be easily transferred to a real robot by fine-tuning a keypoint detector.  ( 2 min )

Lightweight neural networks exchange fast inference for predictive strength. Conversely, large deep neural networks have low prediction error but incur prolonged inference times and high energy consumption on resource-constrained devices. This trade-off is unacceptable for latency-sensitive and performance-critical applications. Offloading inference tasks to a server is unsatisfactory due to the inevitable network congestion by high-dimensional data competing for limited bandwidth and leaving valuable client-side resources idle. This work demonstrates why existing methods cannot adequately address the need for high-performance inference in mobile edge computing. Then, we show how to overcome current limitations by introducing a novel training method to reduce bandwidth consumption in Machine-to-Machine communication and a generalizable design heuristic for resource-conscious compression models. We extensively evaluate our proposed method against a wide range of baselines for latency and compressive strength in an environment with asymmetric resource distribution between edge devices and servers. Despite our edge-oriented lightweight encoder, our method achieves considerably better compression rates.

With the growth of neural network size, model compression has attracted increasing interest in recent research. As one of the most common techniques, pruning has been studied for a long time. By exploiting the structured sparsity of the neural network, existing methods can prune neurons instead of individual weights. However, in most existing pruning methods, surviving neurons are randomly connected in the neural network without any structure, and the non-zero weights within each neuron are also randomly distributed. Such irregular sparse structure can cause very high control overhead and irregular memory access for the hardware and even increase the neural network computational complexity. In this paper, we propose a three-layer hierarchical prior to promote a more regular sparse structure during pruning. The proposed three-layer hierarchical prior can achieve per-neuron weight-level structured sparsity and neuron-level structured sparsity. We derive an efficient Turbo-variational Bayesian inferencing (Turbo-VBI) algorithm to solve the resulting model compression problem with the proposed prior. The proposed Turbo-VBI algorithm has low complexity and can support more general priors than existing model compression algorithms. Simulation results show that our proposed algorithm can promote a more regular structure in the pruned neural networks while achieving even better performance in terms of compression rate and inferencing accuracy compared with the baselines.

Learning with limited data is one of the biggest problems of machine learning. Current approaches to this issue consist in learning general representations from huge amounts of data before fine-tuning the model on a small dataset of interest. While such technique, coined transfer learning, is very effective in domains such as computer vision or natural langage processing, it does not yet solve common problems of deep learning such as model interpretability or the overall need for data. This thesis explores a different answer to the problem of learning expressive models in data constrained settings: instead of relying on big datasets to learn neural networks, we will replace some modules by known functions reflecting the structure of the data. Very often, these functions will be drawn from the rich literature of kernel methods. Indeed, many kernels can reflect the underlying structure of the data, thus sparing learning parameters to some extent. Our approach falls under the hood of "inductive biases", which can be defined as hypothesis on the data at hand restricting the space of models to explore during learning. We demonstrate the effectiveness of this approach in the context of sequences, such as sentences in natural language or protein sequences, and graphs, such as molecules. We also highlight the relationship between our work and recent advances in deep learning. Additionally, we study convex machine learning models. Here, rather than proposing new models, we wonder which proportion of the samples in a dataset is really needed to learn a "good" model. More precisely, we study the problem of safe sample screening, i.e, executing simple tests to discard uninformative samples from a dataset even before fitting a machine learning model, without affecting the optimal model. Such techniques can be used to prune datasets or mine for rare samples.

In fields such as medicine and drug discovery, the ultimate goal of a classification is not to guess a class, but to choose the optimal course of action among a set of possible ones, usually not in one-one correspondence with the set of classes. This decision-theoretic problem requires sensible probabilities for the classes. Probabilities conditional on the features are computationally almost impossible to find in many important cases. The main idea of the present work is to calculate probabilities conditional not on the features, but on the trained classifier's output. This calculation is cheap, needs to be made only once, and provides an output-to-probability "transducer" that can be applied to all future outputs of the classifier. In conjunction with problem-dependent utilities, the probabilities of the transducer allow us to find the optimal choice among the classes or among a set of more general decisions, by means of expected-utility maximization. This idea is demonstrated in a simplified drug-discovery problem with a highly imbalanced dataset. The transducer and utility maximization together always lead to improved results, sometimes close to theoretical maximum, for all sets of problem-dependent utilities. The one-time-only calculation of the transducer also provides, automatically: (i) a quantification of the uncertainty about the transducer itself; (ii) the expected utility of the augmented algorithm (including its uncertainty), which can be used for algorithm selection; (iii) the possibility of using the algorithm in a "generative mode", useful if the training dataset is biased.

Vertical Federated Learning (VFL) enables multiple data owners, each holding a different subset of features about largely overlapping sets of data sample(s), to jointly train a useful global model. Feature selection (FS) is important to VFL. It is still an open research problem as existing FS works designed for VFL either assumes prior knowledge on the number of noisy features or prior knowledge on the post-training threshold of useful features to be selected, making them unsuitable for practical applications. To bridge this gap, we propose the Federated Stochastic Dual-Gate based Feature Selection (FedSDG-FS) approach. It consists of a Gaussian stochastic dual-gate to efficiently approximate the probability of a feature being selected, with privacy protection through Partially Homomorphic Encryption without a trusted third-party. To reduce overhead, we propose a feature importance initialization method based on Gini impurity, which can accomplish its goals with only two parameter transmissions between the server and the clients. Extensive experiments on both synthetic and real-world datasets show that FedSDG-FS significantly outperforms existing approaches in terms of achieving accurate selection of high-quality features as well as building global models with improved performance.

We present Classy Ensemble, a novel ensemble-generation algorithm for classification tasks, which aggregates models through a weighted combination of per-class accuracy. Tested over 153 machine learning datasets we demonstrate that Classy Ensemble outperforms two other well-known aggregation algorithms -- order-based pruning and clustering-based pruning -- as well as the recently introduced lexigarden ensemble generator. We also show preliminary results for deep networks.

In this work, we study discrete morphological symmetries of dynamical systems, a predominant feature in animal biology and robotic systems, expressed when the system's morphology has one or more planes of symmetry describing the duplication and balanced distribution of body parts. These morphological symmetries imply that the system's dynamics are symmetric (or approximately symmetric), which in turn imprints symmetries in optimal control policies and in all proprioceptive and exteroceptive measurements related to the evolution of the system's dynamics. For data-driven methods, symmetry represents an inductive bias that justifies data augmentation and the construction of symmetric function approximators. To this end, we use group theory to present a theoretical and practical framework allowing for (1) the identification of the system's morphological symmetry group $\G$, (2) data-augmentation of proprioceptive and exteroceptive measurements, and (3) the exploitation of data symmetries through the use of $\G$-equivariant/invariant neural networks, for which we present experimental results on synthetic and real-world applications, demonstrating how symmetry constraints lead to better sample efficiency and generalization while reducing the number of trainable parameters.

Data valuation, especially quantifying data value in algorithmic prediction and decision-making, is a fundamental problem in data trading scenarios. The most widely used method is to define the data Shapley and approximate it by means of the permutation sampling algorithm. To make up for the large estimation variance of the permutation sampling that hinders the development of the data marketplace, we propose a more robust data valuation method using stratified sampling, named variance reduced data Shapley (VRDS for short). We theoretically show how to stratify, how many samples are taken at each stratum, and the sample complexity analysis of VRDS. Finally, the effectiveness of VRDS is illustrated in different types of datasets and data removal applications.  ( 2 min )

Interest in understanding and factorizing learned embedding spaces through conceptual explanations is steadily growing. When no human concept labels are available, concept discovery methods search trained embedding spaces for interpretable concepts like object shape or color that can be used to provide post-hoc explanations for decisions. Unlike previous work, we argue that concept discovery should be identifiable, meaning that a number of known concepts can be provably recovered to guarantee reliability of the explanations. As a starting point, we explicitly make the connection between concept discovery and classical methods like Principal Component Analysis and Independent Component Analysis by showing that they can recover independent concepts with non-Gaussian distributions. For dependent concepts, we propose two novel approaches that exploit functional compositionality properties of image-generating processes. Our provably identifiable concept discovery methods substantially outperform competitors on a battery of experiments including hundreds of trained models and dependent concepts, where they exhibit up to 29 % better alignment with the ground truth. Our results provide a rigorous foundation for reliable concept discovery without human labels.  ( 2 min )

Symbolic regression, the task of extracting mathematical expressions from the observed data $\{ \vx_i, y_i \}$, plays a crucial role in scientific discovery. Despite the promising performance of existing methods, most of them conduct symbolic regression in an \textit{offline} setting. That is, they treat the observed data points as given ones that are simply sampled from uniform distributions without exploring the expressive potential of data. However, for real-world scientific problems, the data used for symbolic regression are usually actively obtained by doing experiments, which is an \textit{online} setting. Thus, how to obtain informative data that can facilitate the symbolic regression process is an important problem that remains challenging. In this paper, we propose QUOSR, a \textbf{qu}ery-based framework for \textbf{o}nline \textbf{s}ymbolic \textbf{r}egression that can automatically obtain informative data in an iterative manner. Specifically, at each step, QUOSR receives historical data points, generates new $\vx$, and then queries the symbolic expression to get the corresponding $y$, where the $(\vx, y)$ serves as new data points. This process repeats until the maximum number of query steps is reached. To make the generated data points informative, we implement the framework with a neural network and train it by maximizing the mutual information between generated data points and the target expression. Through comprehensive experiments, we show that QUOSR can facilitate modern symbolic regression methods by generating informative data.

The task of infomin learning aims to learn a representation with high utility while being uninformative about a specified target, with the latter achieved by minimising the mutual information between the representation and the target. It has broad applications, ranging from training fair prediction models against protected attributes, to unsupervised learning with disentangled representations. Recent works on infomin learning mainly use adversarial training, which involves training a neural network to estimate mutual information or its proxy and thus is slow and difficult to optimise. Drawing on recent advances in slicing techniques, we propose a new infomin learning approach, which uses a novel proxy metric to mutual information. We further derive an accurate and analytically computable approximation to this proxy metric, thereby removing the need of constructing neural network-based mutual information estimators. Experiments on algorithmic fairness, disentangled representation learning and domain adaptation verify that our method can effectively remove unwanted information with limited time budget.

Real-time traffic state estimation is essential for intelligent transportation systems. The NeurIPS 2022 Traffic4cast challenge provides an excellent testbed for benchmarking short-term traffic state estimation approaches. This technical report describes our solution to this challenge. In particular, we present an efficient two-stage gradient boosting framework for short-term traffic state estimation. The first stage derives the month, day of the week, and time slot index based on the sparse loop counter data, and the second stage predicts the future traffic states based on the sparse loop counter data and the derived month, day of the week, and time slot index. Experimental results demonstrate that our two-stage gradient boosting framework achieves strong empirical performance, achieving third place in both the core and the extended challenges while remaining highly efficient. The source code for this technical report is available at \url{https://github.com/YichaoLu/Traffic4cast2022}.

Understanding seasonal climatic conditions is critical for better management of resources such as water, energy and agriculture. Recently, there has been a great interest in utilizing the power of artificial intelligence methods in climate studies. This paper presents a cutting-edge deep learning model (UNet++) trained by state-of-the-art global CMIP6 models to forecast global temperatures a month ahead using the ERA5 reanalysis dataset. ERA5 dataset was also used for finetuning as well performance analysis in the validation dataset. Three different setups (CMIP6; CMIP6 + elevation; CMIP6 + elevation + ERA5 finetuning) were used with both UNet and UNet++ algorithms resulting in six different models. For each model 14 different sequential and non-sequential temporal settings were used. The Mean Absolute Error (MAE) analysis revealed that UNet++ with CMIP6 with elevation and ERA5 finetuning model with "Year 3 Month 2" temporal case provided the best outcome with an MAE of 0.7. Regression analysis over the validation dataset between the ERA5 data values and the corresponding AI model predictions revealed slope and $R^2$ values close to 1 suggesting a very good agreement. The AI model predicts significantly better than the mean CMIP6 ensemble between 2016 and 2021. Both models predict the summer months more accurately than the winter months.

Distributed machine learning paradigms, such as federated learning, have been recently adopted in many privacy-critical applications for speech analysis. However, such frameworks are vulnerable to privacy leakage attacks from shared gradients. Despite extensive efforts in the image domain, the exploration of speech privacy leakage from gradients is quite limited. In this paper, we explore methods for recovering private speech/speaker information from the shared gradients in distributed learning settings. We conduct experiments on a keyword spotting model with two different types of speech features to quantify the amount of leaked information by measuring the similarity between the original and recovered speech signals. We further demonstrate the feasibility of inferring various levels of side-channel information, including speech content and speaker identity, under the distributed learning framework without accessing the user's data.

Prediction of multi-dimensional labels plays an important role in machine learning problems. We found that the classical binary labels could not reflect the contents and their relationships in an instance. Hence, we propose a multi-label classification model based on interval type-2 fuzzy logic. In the proposed model, we use a deep neural network to predict the type-1 fuzzy membership of an instance and another one to predict the fuzzifiers of the membership to generate interval type-2 fuzzy memberships. We also propose a loss function to measure the similarities between binary labels in datasets and interval type-2 fuzzy memberships generated by our model. The experiments validate that our approach outperforms baselines on multi-label classification benchmarks.

In this paper, we revisit the regret of undiscounted reinforcement learning in MDPs with a birth and death structure. Specifically, we consider a controlled queue with impatient jobs and the main objective is to optimize a trade-off between energy consumption and user-perceived performance. Within this setting, the \emph{diameter} $D$ of the MDP is $\Omega(S^S)$, where $S$ is the number of states. Therefore, the existing lower and upper bounds on the regret at time$T$, of order $O(\sqrt{DSAT})$ for MDPs with $S$ states and $A$ actions, may suggest that reinforcement learning is inefficient here. In our main result however, we exploit the structure of our MDPs to show that the regret of a slightly-tweaked version of the classical learning algorithm {\sc Ucrl2} is in fact upper bounded by $\tilde{\mathcal{O}}(\sqrt{E_2AT})$ where $E_2$ is related to the weighted second moment of the stationary measure of a reference policy. Importantly, $E_2$ is bounded independently of $S$. Thus, our bound is asymptotically independent of the number of states and of the diameter. This result is based on a careful study of the number of visits performed by the learning algorithm to the states of the MDP, which is highly non-uniform.

A machine learning model that generalizes well should obtain low errors on unseen test examples. Thus, if we learn an optimal model in training data, it could have better generalization performance in testing tasks. However, learning such a model is not possible in standard machine learning frameworks as the distribution of the test data is unknown. To tackle this challenge, we propose a novel robust meta-learning method, which is more robust to the image-based testing tasks which is unknown and has distribution shifts with training tasks. Our robust meta-learning method can provide robust optimal models even when data from each distribution are scarce. In experiments, we demonstrate that our algorithm not only has better generalization performance but also robust to different unknown testing tasks.  ( 2 min )

NLP-based computer vision models, particularly vision transformers, have been shown to outperform CNN models in many imaging tasks. However, most digital pathology artificial-intelligence models are based on CNN architectures, probably owing to a lack of data regarding NLP models for pathology images. In this study, we developed digital pathology pipelines to benchmark the five most recently proposed NLP models (vision transformer (ViT), Swin Transformer, MobileViT, CMT, and Sequencer2D) and four popular CNN models (ResNet18, ResNet50, MobileNetV2, and EfficientNet) to predict biomarkers in colorectal cancer (microsatellite instability, CpG island methylator phenotype, and BRAF mutation). Hematoxylin and eosin-stained whole-slide images from Molecular and Cellular Oncology and The Cancer Genome Atlas were used as training and external validation datasets, respectively. Cross-study external validations revealed that the NLP-based models significantly outperformed the CNN-based models in biomarker prediction tasks, improving the overall prediction and precision up to approximately 10% and 26%, respectively. Notably, compared with existing models in the current literature using large training datasets, our NLP models achieved state-of-the-art predictions for all three biomarkers using a relatively small training dataset, suggesting that large training datasets are not a prerequisite for NLP models or transformers, and NLP may be more suitable for clinical studies in which small training datasets are commonly collected. The superior performance of Sequencer2D suggests that further research and innovation on both transformer and bidirectional long short-term memory architectures are warranted in the field of digital pathology. NLP models can replace classic CNN architectures and become the new workhorse backbone in the field of digital pathology.

We study the problem of imputing missing values in a dataset, which has important applications in many domains. The key to missing value imputation is to capture the data distribution with incomplete samples and impute the missing values accordingly. In this paper, by leveraging the fact that any two batches of data with missing values come from the same data distribution, we propose to impute the missing values of two batches of samples by transforming them into a latent space through deep invertible functions and matching them distributionally. To learn the transformations and impute the missing values simultaneously, a simple and well-motivated algorithm is proposed. Extensive experiments over a large number of datasets and competing benchmark algorithms show that our method achieves state-of-the-art performance.

The massive use of artificial neural networks (ANNs), increasingly popular in many areas of scientific computing, rapidly increases the energy consumption of modern high-performance computing systems. An appealing and possibly more sustainable alternative is provided by novel neuromorphic paradigms, which directly implement ANNs in hardware. However, little is known about the actual benefits of running ANNs on neuromorphic hardware for use cases in scientific computing. Here we present a methodology for measuring the energy cost and compute time for inference tasks with ANNs on conventional hardware. In addition, we have designed an architecture for these tasks and estimate the same metrics based on a state-of-the-art analog in-memory computing (AIMC) platform, one of the key paradigms in neuromorphic computing. Both methodologies are compared for a use case in quantum many-body physics in two dimensional condensed matter systems and for anomaly detection at 40 MHz rates at the Large Hadron Collider in particle physics. We find that AIMC can achieve up to one order of magnitude shorter computation times than conventional hardware, at an energy cost that is up to three orders of magnitude smaller. This suggests great potential for faster and more sustainable scientific computing with neuromorphic hardware.

Collaborative filtering based recommendation learns users' preferences from all users' historical behavior data, and has been popular to facilitate decision making. R Recently, the fairness issue of recommendation has become more and more essential. A recommender system is considered unfair when it does not perform equally well for different user groups according to users' sensitive attributes~(e.g., gender, race). Plenty of methods have been proposed to alleviate unfairness by optimizing a predefined fairness goal or changing the distribution of unbalanced training data. However, they either suffered from the specific fairness optimization metrics or relied on redesigning the current recommendation architecture. In this paper, we study how to improve recommendation fairness from the data augmentation perspective. The recommendation model amplifies the inherent unfairness of imbalanced training data. We augment imbalanced training data towards balanced data distribution to improve fairness. The proposed framework is generally applicable to any embedding-based recommendation, and does not need to pre-define a fairness metric. Extensive experiments on two real-world datasets clearly demonstrate the superiority of our proposed framework. We publish the source code at https://github.com/newlei/FDA.

Imitation learning holds tremendous promise in learning policies efficiently for complex decision making problems. Current state-of-the-art algorithms often use inverse reinforcement learning (IRL), where given a set of expert demonstrations, an agent alternatively infers a reward function and the associated optimal policy. However, such IRL approaches often require substantial online interactions for complex control problems. In this work, we present Regularized Optimal Transport (ROT), a new imitation learning algorithm that builds on recent advances in optimal transport based trajectory-matching. Our key technical insight is that adaptively combining trajectory-matching rewards with behavior cloning can significantly accelerate imitation even with only a few demonstrations. Our experiments on 20 visual control tasks across the DeepMind Control Suite, the OpenAI Robotics Suite, and the Meta-World Benchmark demonstrate an average of 7.8X faster imitation to reach 90% of expert performance compared to prior state-of-the-art methods. On real-world robotic manipulation, with just one demonstration and an hour of online training, ROT achieves an average success rate of 90.1% across 14 tasks.

We propose a lightweight end-to-end text-to-speech model using multi-band generation and inverse short-time Fourier transform. Our model is based on VITS, a high-quality end-to-end text-to-speech model, but adopts two changes for more efficient inference: 1) the most computationally expensive component is partially replaced with a simple inverse short-time Fourier transform, and 2) multi-band generation, with fixed or trainable synthesis filters, is used to generate waveforms. Unlike conventional lightweight models, which employ optimization or knowledge distillation separately to train two cascaded components, our method enjoys the full benefits of end-to-end optimization. Experimental results show that our model synthesized speech as natural as that synthesized by VITS, while achieving a real-time factor of 0.066 on an Intel Core i7 CPU, 4.1 times faster than VITS. Moreover, a smaller version of the model significantly outperformed a lightweight baseline model with respect to both naturalness and inference speed. Code and audio samples are available from https://github.com/MasayaKawamura/MB-iSTFT-VITS.

From human physiology to environmental evolution, important processes in nature often exhibit meaningful and strong periodic or quasi-periodic changes. Due to their inherent label scarcity, learning useful representations for periodic tasks with limited or no supervision is of great benefit. Yet, existing self-supervised learning (SSL) methods overlook the intrinsic periodicity in data, and fail to learn representations that capture periodic or frequency attributes. In this paper, we present SimPer, a simple contrastive SSL regime for learning periodic information in data. To exploit the periodic inductive bias, SimPer introduces customized augmentations, feature similarity measures, and a generalized contrastive loss for learning efficient and robust periodic representations. Extensive experiments on common real-world tasks in human behavior analysis, environmental sensing, and healthcare domains verify the superior performance of SimPer compared to state-of-the-art SSL methods, highlighting its intriguing properties including better data efficiency, robustness to spurious correlations, and generalization to distribution shifts. Code and data are available at: https://github.com/YyzHarry/SimPer.  ( 2 min )

Understanding and quantifying cause and effect is an important problem in many domains. The generally-agreed solution to this problem is to perform a randomised controlled trial. However, even when randomised controlled trials can be performed, they usually have relatively short duration's due to cost considerations. This makes learning long-term causal effects a very challenging task in practice, since the long-term outcome is only observed after a long delay. In this paper, we study the identification and estimation of long-term treatment effects when both experimental and observational data are available. Previous work provided an estimation strategy to determine long-term causal effects from such data regimes. However, this strategy only works if one assumes there are no unobserved confounders in the observational data. In this paper, we specifically address the challenging case where unmeasured confounders are present in the observational data. Our long-term causal effect estimator is obtained by combining regression residuals with short-term experimental outcomes in a specific manner to create an instrumental variable, which is then used to quantify the long-term causal effect through instrumental variable regression. We prove this estimator is unbiased, and analytically study its variance. In the context of the front-door causal structure, this provides a new causal estimator, which may be of independent interest. Finally, we empirically test our approach on synthetic-data, as well as real-data from the International Stroke Trial.  ( 2 min )

Due to its vast application on online social networks, Influence Maximization (IM) has garnered considerable attention over the last couple of decades. Current IM research lacks human-comprehensible explanations of how the seed set results in the influence effect, hence reducing the trustworthiness of existing solutions despite their applicability. Due to the intricacy of IM, the majority of current research concentrate on estimating first-order spreading power and often is regard the interplay between flows dispersed from different seeds. This study uses Sobol indices, the cornerstone of variance-based sensitivity analysis, to decompose the influence effect to individual seeds and their interactions. The Sobol indices are tailored for IM contexts by modeling the seed selection as binary variables. This explanation method is universally applicable to all network types, IM techniques, and diffusion models. Based on the explanation method, a general framework dubbed SobolIM is proposed to improve the performance of current IM studies by over-selecting nodes followed by an elimination strategy. Experiments on synthetic and real-world graphs demonstrate that the explanation of the impact effect can dependably identify the key high-order interaction between seeds across a variety of networks and IM methods. SobolIM is empirically proved to be superior on effectiveness and competitive on efficiency.

Recent progress has been made towards learning invariant or equivariant representations with self-supervised learning. While invariant methods are evaluated on large scale datasets, equivariant ones are evaluated in smaller, more controlled, settings. We aim at bridging the gap between the two in order to learn more diverse representations that are suitable for a wide range of tasks. We start by introducing a dataset called 3DIEBench, consisting of renderings from 3D models over 55 classes and more than 2.5 million images where we have full control on the transformations applied to the objects. We further introduce a predictor architecture based on hypernetworks to learn equivariant representations with no possible collapse to invariance. We introduce SIE (Split Invariant-Equivariant) which combines the hypernetwork-based predictor with representations split in two parts, one invariant, the other equivariant, to learn richer representations. We demonstrate significant performance gains over existing methods on equivariance related tasks from both a qualitative and quantitative point of view. We further analyze our introduced predictor and show how it steers the learned latent space. We hope that both our introduced dataset and approach will enable learning richer representations without supervision in more complex scenarios.  ( 2 min )

We present Parallel Feasible Pareto Frontier Entropy Search ($\{\text{PF}\}^2$ES) -- a novel information-theoretic acquisition function for multi-objective Bayesian optimization supporting unknown constraints and batch query. Due to the complexity of characterizing the mutual information between candidate evaluations and (feasible) Pareto frontiers, existing approaches must either employ crude approximations that significantly hamper their performance or rely on expensive inference schemes that substantially increase the optimization's computational overhead. By instead using a variational lower bound, $\{\text{PF}\}^2$ES provides a low-cost and accurate estimate of the mutual information. We benchmark $\{\text{PF}\}^2$ES against other information-theoretic acquisition functions, demonstrating its competitive performance for optimization across synthetic and real-world design problems.

Interpretability research aims to build tools for understanding machine learning (ML) models. However, such tools are inherently hard to evaluate because we do not have ground truth information about how ML models actually work. In this work, we propose to build transformer models manually as a testbed for interpretability research. We introduce Tracr, a "compiler" for translating human-readable programs into weights of a transformer model. Tracr takes code written in RASP, a domain-specific language (Weiss et al. 2021), and translates it into weights for a standard, decoder-only, GPT-like transformer architecture. We use Tracr to create a range of ground truth transformers that implement programs including computing token frequencies, sorting, and Dyck-n parenthesis checking, among others. To enable the broader research community to explore and use compiled models, we provide an open-source implementation of Tracr at https://github.com/deepmind/tracr.  ( 2 min )

We introduce GAUCHE, a library for GAUssian processes in CHEmistry. Gaussian processes have long been a cornerstone of probabilistic machine learning, affording particular advantages for uncertainty quantification and Bayesian optimisation. Extending Gaussian processes to chemical representations, however, is nontrivial, necessitating kernels defined over structured inputs such as graphs, strings and bit vectors. By defining such kernels in GAUCHE, we seek to open the door to powerful tools for uncertainty quantification and Bayesian optimisation in chemistry. Motivated by scenarios frequently encountered in experimental chemistry, we showcase applications for GAUCHE in molecular discovery and chemical reaction optimisation. The codebase is made available at https://github.com/leojklarner/gauche

Seismic acquisition footprints appear as stably faint and dim structures and emerge fully spatially coherent, causing inevitable damage to useful signals during the suppression process. Various footprint removal methods, including filtering and sparse representation (SR), have been reported to attain promising results for surmounting this challenge. However, these methods, e.g., SR, rely solely on the handcrafted image priors of useful signals, which is sometimes an unreasonable demand if complex geological structures are contained in the given seismic data. As an alternative, this article proposes a footprint removal network (dubbed FR-Net) for the unsupervised suppression of acquired footprints without any assumptions regarding valuable signals. The key to the FR-Net is to design a unidirectional total variation (UTV) model for footprint acquisition according to the intrinsically directional property of noise. By strongly regularizing a deep convolutional autoencoder (DCAE) using the UTV model, our FR-Net transforms the DCAE from an entirely data-driven model to a \textcolor{black}{prior-augmented} approach, inheriting the superiority of the DCAE and our footprint model. Subsequently, the complete separation of the footprint noise and useful signals is projected in an unsupervised manner, specifically by optimizing the FR-Net via the backpropagation (BP) algorithm. We provide qualitative and quantitative evaluations conducted on three synthetic and field datasets, demonstrating that our FR-Net surpasses the previous state-of-the-art (SOTA) methods.  ( 2 min )

Evolution Strategy (ES) is a powerful black-box optimization technique based on the idea of natural evolution. In each of its iterations, a key step entails ranking candidate solutions based on some fitness score. For an ES method in Reinforcement Learning (RL), this ranking step requires evaluating multiple policies. This is presently done via on-policy approaches: each policy's score is estimated by interacting several times with the environment using that policy. This leads to a lot of wasteful interactions since, once the ranking is done, only the data associated with the top-ranked policies is used for subsequent learning. To improve sample efficiency, we propose a novel off-policy alternative for ranking, based on a local approximation for the fitness function. We demonstrate our idea in the context of a state-of-the-art ES method called the Augmented Random Search (ARS). Simulations in MuJoCo tasks show that, compared to the original ARS, our off-policy variant has similar running times for reaching reward thresholds but needs only around 70% as much data. It also outperforms the recent Trust Region ES. We believe our ideas should be extendable to other ES methods as well.

Anticipating future actions in a video is useful for many autonomous and assistive technologies. Most prior action anticipation work treat this as a vision modality problem, where the models learn the task information primarily from the video features in the action anticipation datasets. However, knowledge about action sequences can also be obtained from external textual data. In this work, we show how knowledge in pretrained language models can be adapted and distilled into vision-based action anticipation models. We show that a simple distillation technique can achieve effective knowledge transfer and provide consistent gains on a strong vision model (Anticipative Vision Transformer) for two action anticipation datasets (3.5% relative gain on EGTEA-GAZE+ and 7.2% relative gain on EPIC-KITCHEN 55), giving a new state-of-the-art result.

As a basic research problem for building effective recommender systems, post-click conversion rate (CVR) estimation has long been plagued by sample selection bias and data sparsity issues. To address the data sparsity issue, prevalent methods based on entire space multi-task model leverage the sequential pattern of user actions, i.e. exposure $\rightarrow$ click $\rightarrow$ conversion to construct auxiliary learning tasks. However, they still fall short of guaranteeing the unbiasedness of CVR estimates. This paper theoretically demonstrates two defects of these entire space multi-task models: (1) inherent estimation bias (IEB) for CVR estimation, where the CVR estimate is inherently higher than the ground truth; (2) potential independence priority (PIP) for CTCVR estimation, where the causality from click to conversion might be overlooked. This paper further proposes a principled method named entire space counterfactual multi-task model (ESCM$^2$), which employs a counterfactual risk minimizer to handle both IEB and PIP issues at once. To demonstrate the effectiveness of the proposed method, this paper explores its parameter tuning in practice, derives its analytic properties, and showcases its effectiveness in industrial CVR estimation, where ESCM$^2$ can effectively alleviate the intrinsic IEB and PIP issues and outperform baseline models.

Deploying machine learning models to new tasks is a major challenge despite the large size of the modern training datasets. However, it is conceivable that the training data can be reweighted to be more representative of the new (target) task. We consider the problem of reweighing the training samples to gain insights into the distribution of the target task. Specifically, we formulate a distribution shift model based on the exponential tilt assumption and learn train data importance weights minimizing the KL divergence between labeled train and unlabeled target datasets. The learned train data weights can then be used for downstream tasks such as target performance evaluation, fine-tuning, and model selection. We demonstrate the efficacy of our method on Waterbirds and Breeds benchmarks.

Gestures that accompany speech are an essential part of natural and efficient embodied human communication. The automatic generation of such co-speech gestures is a long-standing problem in computer animation and is considered an enabling technology in film, games, virtual social spaces, and for interaction with social robots. The problem is made challenging by the idiosyncratic and non-periodic nature of human co-speech gesture motion, and by the great diversity of communicative functions that gestures encompass. Gesture generation has seen surging interest recently, owing to the emergence of more and larger datasets of human gesture motion, combined with strides in deep-learning-based generative models, that benefit from the growing availability of data. This review article summarizes co-speech gesture generation research, with a particular focus on deep generative models. First, we articulate the theory describing human gesticulation and how it complements speech. Next, we briefly discuss rule-based and classical statistical gesture synthesis, before delving into deep learning approaches. We employ the choice of input modalities as an organizing principle, examining systems that generate gestures from audio, text, and non-linguistic input. We also chronicle the evolution of the related training data sets in terms of size, diversity, motion quality, and collection method. Finally, we identify key research challenges in gesture generation, including data availability and quality; producing human-like motion; grounding the gesture in the co-occurring speech in interaction with other speakers, and in the environment; performing gesture evaluation; and integration of gesture synthesis into applications. We highlight recent approaches to tackling the various key challenges, as well as the limitations of these approaches, and point toward areas of future development.

The linear sequence of amino acids determines protein structure and function. Protein design, known as the inverse of protein structure prediction, aims to obtain a novel protein sequence that will fold into the defined structure. Recent works on computational protein design have studied designing sequences for the desired backbone structure with local positional information and achieved competitive performance. However, similar local environments in different backbone structures may result in different amino acids, indicating that protein structure's global context matters. Thus, we propose the Global-Context Aware generative de novo protein design method (GCA), consisting of local and global modules. While local modules focus on relationships between neighbor amino acids, global modules explicitly capture non-local contexts. Experimental results demonstrate that the proposed GCA method outperforms state-of-the-arts on de novo protein design. Our code and pretrained model will be released.

Recent developments in the methods of explainable AI (XAI) allow researchers to explore the inner workings of deep neural networks (DNNs), revealing crucial information about input-output relationships and realizing how data connects with machine learning models. In this paper we explore interpretability of DNN models designed to identify jets coming from top quark decay in high energy proton-proton collisions at the Large Hadron Collider (LHC). We review a subset of existing top tagger models and explore different quantitative methods to identify which features play the most important roles in identifying the top jets. We also investigate how and why feature importance varies across different XAI metrics, how correlations among features impact their explainability, and how latent space representations encode information as well as correlate with physically meaningful quantities. Our studies uncover some major pitfalls of existing XAI methods and illustrate how they can be overcome to obtain consistent and meaningful interpretation of these models. We additionally illustrate the activity of hidden layers as Neural Activation Pattern (NAP) diagrams and demonstrate how they can be used to understand how DNNs relay information across the layers and how this understanding can help to make such models significantly simpler by allowing effective model reoptimization and hyperparameter tuning. These studies not only facilitate a methodological approach to interpreting models but also unveil new insights about what these models learn. Incorporating these observations into augmented model design, we propose the Particle Flow Interaction Network (PFIN) model and demonstrate how interpretability-inspired model augmentation can improve top tagging performance.

In a partially observable Markov decision process (POMDP), an agent typically uses a representation of the past to approximate the underlying MDP. We propose to utilize a frozen Pretrained Language Transformer (PLT) for history representation and compression to improve sample efficiency. To avoid training of the Transformer, we introduce FrozenHopfield, which automatically associates observations with pretrained token embeddings. To form these associations, a modern Hopfield network stores these token embeddings, which are retrieved by queries that are obtained by a random but fixed projection of observations. Our new method, HELM, enables actor-critic network architectures that contain a pretrained language Transformer for history representation as a memory module. Since a representation of the past need not be learned, HELM is much more sample efficient than competitors. On Minigrid and Procgen environments HELM achieves new state-of-the-art results. Our code is available at https://github.com/ml-jku/helm.

Causal discovery is a major task with the utmost importance for machine learning since causal structures can enable models to go beyond pure correlation-based inference and significantly boost their performance. However, finding causal structures from data poses a significant challenge both in computational effort and accuracy, let alone its impossibility without interventions in general. In this paper, we develop a meta-reinforcement learning algorithm that performs causal discovery by learning to perform interventions such that it can construct an explicit causal graph. Apart from being useful for possible downstream applications, the estimated causal graph also provides an explanation for the data-generating process. In this article, we show that our algorithm estimates a good graph compared to the SOTA approaches, even in environments whose underlying causal structure is previously unseen. Further, we make an ablation study that shows how learning interventions contribute to the overall performance of our approach. We conclude that interventions indeed help boost the performance, efficiently yielding an accurate estimate of the causal structure of a possibly unseen environment.

Trustworthy classifiers are essential to the adoption of machine learning predictions in many real-world settings. The predicted probability of possible outcomes can inform high-stakes decision making, particularly when assessing the expected value of alternative decisions or the risk of bad outcomes. These decisions require well-calibrated probabilities, not just the correct prediction of the most likely class. Black-box classifier calibration methods can improve the reliability of a classifier's output without requiring retraining. However, these methods are unable to detect subpopulations where calibration could also improve prediction accuracy. Such subpopulations are said to exhibit "hidden heterogeneity" (HH), because the original classifier did not detect them. This paper proposes a quantitative measure for HH. It also introduces two similarity-weighted calibration methods that can address HH by adapting locally to each test item: SWC weights the calibration set by similarity to the test item, and SWC-HH explicitly incorporates hidden heterogeneity to filter the calibration set. Experiments show that the improvements in calibration achieved by similarity-based calibration methods correlate with the amount of HH present and, given sufficient calibration data, generally exceed calibration achieved by global methods. HH can therefore serve as a useful diagnostic tool for identifying when local calibration methods would be beneficial.

In this paper, we propose Wasserstein Isometric Mapping (Wassmap), a nonlinear dimensionality reduction technique that provides solutions to some drawbacks in existing global nonlinear dimensionality reduction algorithms in imaging applications. Wassmap represents images via probability measures in Wasserstein space, then uses pairwise Wasserstein distances between the associated measures to produce a low-dimensional, approximately isometric embedding. We show that the algorithm is able to exactly recover parameters of some image manifolds including those generated by translations or dilations of a fixed generating measure. Additionally, we show that a discrete version of the algorithm retrieves parameters from manifolds generated from discrete measures by providing a theoretical bridge to transfer recovery results from functional data to discrete data. Testing of the proposed algorithms on various image data manifolds show that Wassmap yields good embeddings compared with other global and local techniques.

Estimating the gradients of stochastic nodes is one of the crucial research questions in the deep generative modeling community, which enables the gradient descent optimization on neural network parameters. This estimation problem becomes further complex when we regard the stochastic nodes to be discrete because pathwise derivative techniques cannot be applied. Hence, the stochastic gradient estimation of discrete distributions requires either a score function method or continuous relaxation of the discrete random variables. This paper proposes a general version of the Gumbel-Softmax estimator with continuous relaxation, and this estimator is able to relax the discreteness of probability distributions including more diverse types, other than categorical and Bernoulli. In detail, we utilize the truncation of discrete random variables and the Gumbel-Softmax trick with a linear transformation for the relaxed reparameterization. The proposed approach enables the relaxed discrete random variable to be reparameterized and to backpropagated through a large scale stochastic computational graph. Our experiments consist of (1) synthetic data analyses, which show the efficacy of our methods; and (2) applications on VAE and topic model, which demonstrate the value of the proposed estimation in practices.

Recently, diffusion probabilistic models (DPMs) have achieved promising results in diverse generative tasks. A typical DPM framework includes a forward process that gradually diffuses the data distribution and a reverse process that recovers the data distribution from time-dependent data scores. In this work, we observe that the stochastic reverse process of data scores is a martingale, from which concentration bounds and the optional stopping theorem for data scores can be derived. Then, we discover a simple way for calibrating an arbitrary pretrained DPM, with which the score matching loss can be reduced and the lower bounds of model likelihood can consequently be increased. We provide general calibration guidelines under various model parametrizations. Our calibration method is performed only once and the resulting models can be used repeatedly for sampling. We conduct experiments on multiple datasets to empirically validate our proposal. Our code is at https://github.com/thudzj/Calibrated-DPMs.  ( 2 min )

Bayesian model comparison (BMC) offers a principled probabilistic approach to study and rank competing models. In standard BMC, we construct a discrete probability distribution over the set of possible models, conditional on the observed data of interest. These posterior model probabilities (PMPs) are measures of uncertainty, but -- when derived from a finite number of observations -- are also uncertain themselves. In this paper, we conceptualize distinct levels of uncertainty which arise in BMC. We explore a fully probabilistic framework for quantifying meta-uncertainty, resulting in an applied method to enhance any BMC workflow. Drawing on both Bayesian and frequentist techniques, we represent the uncertainty over the uncertain PMPs via meta-models which combine simulated and observed data into a predictive distribution for PMPs on new data. We demonstrate the utility of the proposed method in the context of conjugate Bayesian regression, likelihood-based inference with Markov chain Monte Carlo, and simulation-based inference with neural networks.

The fourth industrial revolution creates ubiquitous sensor data in production plants. To generate maximum value out of these data, reliable and precise time series-based machine learning methods like temporal neural networks are needed. This paper proposes a novel sequence-to-sequence deep learning architecture for time series segmentation called PrecTime which tries to combine the concepts and advantages of sliding window and dense labeling approaches. The general-purpose architecture is evaluated on a real-world industry dataset containing the End-of-Line testing sensor data of hydraulic pumps. We are able to show that PrecTime outperforms five implemented state-of-the-art baseline networks based on multiple metrics. The achieved segmentation accuracy of around 96% shows that PrecTime can achieve results close to human intelligence in operational state segmentation within a testing cycle.  ( 2 min )

Accurate traffic prediction in real time plays an important role in Intelligent Transportation System (ITS) and travel navigation guidance. There have been many attempts to predict short-term traffic status which consider the spatial and temporal dependencies of traffic information such as temporal graph convolutional network (T-GCN) model and convolutional long short-term memory (Conv-LSTM) model. However, most existing methods use simple adjacent matrix consisting of 0 and 1 to capture the spatial dependence which can not meticulously describe the urban road network topological structure and the law of dynamic change with time. In order to tackle the problem, this paper proposes a dynamic temporal self-attention graph convolutional network (DT-SGN) model which considers the adjacent matrix as a trainable attention score matrix and adapts network parameters to different inputs. Specially, self-attention graph convolutional network (SGN) is chosen to capture the spatial dependence and the dynamic gated recurrent unit (Dynamic-GRU) is chosen to capture temporal dependence and learn dynamic changes of input data. Experiments demonstrate the superiority of our method over state-of-art model-driven model and data-driven models on real-world traffic datasets.  ( 2 min )

Many datasets are underspecified: there exist multiple equally viable solutions to a given task. Underspecification can be problematic for methods that learn a single hypothesis because different functions that achieve low training loss can focus on different predictive features and thus produce widely varying predictions on out-of-distribution data. We propose DivDis, a simple two-stage framework that first learns a diverse collection of hypotheses for a task by leveraging unlabeled data from the test distribution. We then disambiguate by selecting one of the discovered hypotheses using minimal additional supervision, in the form of additional labels or inspection of function visualization. We demonstrate the ability of DivDis to find hypotheses that use robust features in image classification and natural language processing problems with underspecification.

Sparse tensors are rapidly becoming critical components of modern deep learning workloads. However, developing high-performance sparse operators can be difficult and tedious, and existing vendor libraries cannot satisfy the escalating demands from new operators. Sparse tensor compilers simplify the development of operators, but efficient sparse compilation for deep learning remains challenging because a single sparse format cannot maximize hardware efficiency, and single-shot compilers cannot keep up with latest hardware and system advances. In this paper, we observe that the key to addressing both these challenges is to leverage composable formats and composable transformations. We propose SparseTIR, a sparse tensor compilation abstraction that offers composable formats and composable transformations for deep learning workloads. SparseTIR constructs a search space over these composable components for performance tuning. With these improvements, SparseTIR obtains consistent performance speedups vs vendor libraries on GPUs for single operators: 1.20-2.34x for GNN operators, 1.05-2.98x for sparse attention operators, and 0.56-7.45x for sparse convolution operators. SparseTIR also accelerates end-to-end GNNs by 1.08-1.52x for GraphSAGE training, and 4.20-40.18x for RGCN inference.

Mean field theory is widely used in the theoretical studies of neural networks. In this paper, we analyze the role of depth in the concentration of mean-field predictions, specifically for deep multilayer perceptron (MLP) with batch normalization (BN) at initialization. By scaling the network width to infinity, it is postulated that the mean-field predictions suffer from layer-wise errors that amplify with depth. We demonstrate that BN stabilizes the distribution of representations that avoids the error propagation of mean-field predictions. This stabilization, which is characterized by a geometric mixing property, allows us to establish concentration bounds for mean field predictions in infinitely-deep neural networks with a finite width.

This paper presents a study on the use of federated learning to train an ASR model based on a wav2vec 2.0 model pre-trained by self supervision. Carried out on the well-known TED-LIUM 3 dataset, our experiments show that such a model can obtain, with no use of a language model, a word error rate of 10.92% on the official TED-LIUM 3 test set, without sharing any data from the different users. We also analyse the ASR performance for speakers depending to their participation to the federated learning. Since federated learning was first introduced for privacy purposes, we also measure its ability to protect speaker identity. To do that, we exploit an approach to analyze information contained in exchanged models based on a neural network footprint on an indicator dataset. This analysis is made layer-wise and shows which layers in an exchanged wav2vec 2.0 based model bring the speaker identity information.

Identifying causal relations among multi-variate time series is one of the most important elements towards understanding the complex mechanisms underlying the dynamic system. It provides critical tools for forecasting, simulations and interventions in science and business analytics. In this paper, we proposed a graph neural network approach with score-based method aiming at learning a sparse DAG that captures the causal dependencies in a discretized time temporal graph. We demonstrate methods with graph neural network significantly outperformed other state-of-the-art methods with dynamic bayesian networking inference. In addition, from the experiments, the structural causal model can be more accurate than a linear SCM discovered by the methods such as Notears.

In the paper, we propose a class of faster adaptive Gradient Descent Ascent (GDA) methods for solving the nonconvex-strongly-concave minimax problems by using the unified adaptive matrices, which include almost all existing coordinate-wise and global adaptive learning rates. In particular, we provide an effective convergence analysis framework for our adaptive GDA methods. Specifically, we propose a fast Adaptive Gradient Descent Ascent (AdaGDA) method based on the basic momentum technique, which reaches a lower gradient complexity of $\tilde{O}(\kappa^4\epsilon^{-4})$ for finding an $\epsilon$-stationary point without large batches, which improves the existing results of the adaptive GDA methods by a factor of $O(\sqrt{\kappa})$. Moreover, we propose an accelerated version of AdaGDA (VR-AdaGDA) method based on the momentum-based variance reduced technique, which achieves a lower gradient complexity of $\tilde{O}(\kappa^{4.5}\epsilon^{-3})$ for finding an $\epsilon$-stationary point without large batches, which improves the existing results of the adaptive GDA methods by a factor of $O(\epsilon^{-1})$. Moreover, we prove that our VR-AdaGDA method can reach the best known gradient complexity of $\tilde{O}(\kappa^{3}\epsilon^{-3})$ with the mini-batch size $O(\kappa^3)$. The experiments on policy evaluation and fair classifier learning tasks are conducted to verify the efficiency of our new algorithms.

In this work, we provide a deterministic alternative to the stochastic variational training of generative autoencoders. We refer to these new generative autoencoders as AutoEncoders within Flows (AEF), since the encoder and decoder are defined as affine layers of an overall invertible architecture. This results in a deterministic encoding of the data, as opposed to the stochastic encoding of VAEs. The paper introduces two related families of AEFs. The first family relies on a partition of the ambient space and is trained by exact maximum-likelihood. The second family exploits a deterministic expansion of the ambient space and is trained by maximizing the log-probability in this extended space. This latter case leaves complete freedom in the choice of encoder, decoder and prior architectures, making it a drop-in replacement for the training of existing VAEs and VAE-style models. We show that these AEFs can have strikingly higher performance than architecturally identical VAEs in terms of log-likelihood and sample quality, especially for low dimensional latent spaces. Importantly, we show that AEF samples are substantially sharper than VAE samples.

While the Bayesian decision-theoretic framework offers an elegant solution to the problem of decision making under uncertainty, one question is how to appropriately select the prior distribution. One idea is to employ a worst-case prior. However, this is not as easy to specify in sequential decision making as in simple statistical estimation problems. This paper studies (sometimes approximate) minimax-Bayes solutions for various reinforcement learning problems to gain insights into the properties of the corresponding priors and policies. We find that while the worst-case prior depends on the setting, the corresponding minimax policies are more robust than those that assume a standard (i.e. uniform) prior.

Deep neural networks (DNNs) are known to be vulnerable to adversarial attacks that would trigger misclassification of DNNs but may be imperceptible to human perception. Adversarial defense has been an important way to improve the robustness of DNNs. Existing attack methods often construct adversarial examples relying on some metrics like the $\ell_p$ distance to perturb samples. However, these metrics can be insufficient to conduct adversarial attacks due to their limited perturbations. In this paper, we propose a new internal Wasserstein distance (IWD) to capture the semantic similarity of two samples, and thus it helps to obtain larger perturbations than currently used metrics such as the $\ell_p$ distance. We then apply the internal Wasserstein distance to perform adversarial attack and defense. In particular, we develop a novel attack method relying on IWD to calculate the similarities between an image and its adversarial examples. In this way, we can generate diverse and semantically similar adversarial examples that are more difficult to defend by existing defense methods. Moreover, we devise a new defense method relying on IWD to learn robust models against unseen adversarial examples. We provide both thorough theoretical and empirical evidence to support our methods.

We consider a variant of the best arm identification task in stochastic multi-armed bandits. Motivated by risk-averse decision-making problems, our goal is to identify a set of $m$ arms with the highest $\tau$-quantile values within a fixed budget. We prove asymmetric two-sided concentration inequalities for order statistics and quantiles of random variables that have non-decreasing hazard rate, which may be of independent interest. With these inequalities, we analyse a quantile version of Successive Accepts and Rejects (Q-SAR). We derive an upper bound for the probability of arm misidentification, the first justification of a quantile based algorithm for fixed budget multiple best arms identification. We show illustrative experiments for best arm identification.

We present the Physics-Informed Long Short-Term Memory (PI-LSTM) network to reconstruct and predict the evolution of unmeasured variables in a chaotic system. The training is constrained by a regularization term, which penalizes solutions that violate the system's governing equations. The network is showcased on the Lorenz-96 model, a prototypical chaotic dynamical system, for a varying number of variables to reconstruct. First, we show the PI-LSTM architecture and explain how to constrain the differential equations, which is a non-trivial task in LSTMs. Second, the PI-LSTM is numerically evaluated in the long-term autonomous evolution to study its ergodic properties. We show that it correctly predicts the statistics of the unmeasured variables, which cannot be achieved without the physical constraint. Third, we compute the Lyapunov exponents of the network to infer the key stability properties of the chaotic system. For reconstruction purposes, adding the physics-informed loss qualitatively enhances the dynamical behaviour of the network, compared to a data-driven only training. This is quantified by the agreement of the Lyapunov exponents. This work opens up new opportunities for state reconstruction and learning of the dynamics of nonlinear systems.

We provide a unifying framework for the design and analysis of multi-calibrated and moment-multi-calibrated predictors. Placing the multi-calibration problem in the general setting of \emph{multi-objective learning} -- where learning guarantees must hold simultaneously over a set of distributions and loss functions -- we exploit connections to game dynamics to obtain state-of-the-art guarantees for a diverse set of multi-calibration learning problems. In addition to shedding light on existing multi-calibration guarantees, and greatly simplifying their analysis, our approach yields a $1/\epsilon^2$ improvement in the number of oracle calls compared to the state-of-the-art algorithm of Jung et al. 2021 for learning deterministic moment-calibrated predictors and an exponential improvement in $k$ compared to the state-of-the-art algorithm of Gopalan et al. 2022 for learning a $k$-class multi-calibrated predictor. Beyond multi-calibration, we use these game dynamics to address existing and emerging considerations in the study of group fairness and multi-distribution learning.

Biometric recognition as a unique, hard-to-forge, and efficient way of identification and verification has become an indispensable part of the current digital world. The fast evolution of this technology has been a strong incentive for integrating it into many applications. Meanwhile, blockchain, the very attractive decentralized ledger technology, has been widely received both by the research and industry in the past years and it is being increasingly deployed nowadays in many different applications, such as money transfer, IoT, healthcare, or logistics. Recently, researchers have started to speculate what would be the pros and cons and what would be the best applications when these two technologies cross paths. This paper provides a survey of technical literature research on the combination of blockchain and biometrics and includes a first legal analysis of this integration to shed light on challenges and potentials. While this combination is still in its infancy and a growing body of literature discusses specific blockchain applications and solutions in an advanced technological set-up, this paper presents a holistic understanding of blockchains applicability in the biometric sector. This study demonstrates that combining blockchain and biometrics would be beneficial for novel applications in biometrics such as the PKI mechanism, distributed trusted service, and identity management. However, blockchain networks at their current stage are not efficient and economical for real-time applications. From a legal point of view, the allocation of accountability remains a main issue, while other difficulties remain, such as conducting a proper Data Protection Impact Assessment. Finally, it supplies technical and legal recommendations to reap the benefits and mitigate the risks of the combination.

In this work, we study the problem of robustly estimating the mean/location parameter of distributions without moment bounds. For a large class of distributions satisfying natural symmetry constraints we give a sequence of algorithms that can efficiently estimate its location without incurring dimension-dependent factors in the error. Concretely, suppose an adversary can arbitrarily corrupt an $\varepsilon$-fraction of the observed samples. For every $k \in \mathbb{N}$, we design an estimator using time and samples $\tilde{O}({d^k})$ such that the dependence of the error on the corruption level $\varepsilon$ is an additive factor of $O(\varepsilon^{1-\frac{1}{2k}})$. The dependence on other problem parameters is also nearly optimal. Our class contains products of arbitrary symmetric one-dimensional distributions as well as elliptical distributions, a vast generalization of the Gaussian distribution. Examples include product Cauchy distributions and multi-variate $t$-distributions. In particular, even the first moment might not exist. We provide the first efficient algorithms for this class of distributions. Previously, such results where only known under boundedness assumptions on the moments of the distribution and in particular, are provably impossible in the absence of symmetry [KSS18, CTBJ22]. For the class of distributions we consider, all previous estimators either require exponential time or incur error depending on the dimension. Our algorithms are based on a generalization of the filtering technique [DK22]. We show how this machinery can be combined with Huber-loss-based approach to work with projections of the noise. Moreover, we show how sum-of-squares proofs can be used to obtain algorithmic guarantees even for distributions without first moment. We believe that this approach may find other application in future works.

Developing new drugs for target diseases is a time-consuming and expensive task, drug repurposing has become a popular topic in the drug development field. As much health claim data become available, many studies have been conducted on the data. The real-world data is noisy, sparse, and has many confounding factors. In addition, many studies have shown that drugs effects are heterogeneous among the population. Lots of advanced machine learning models about estimating heterogeneous treatment effects (HTE) have emerged in recent years, and have been applied to in econometrics and machine learning communities. These studies acknowledge medicine and drug development as the main application area, but there has been limited translational research from the HTE methodology to drug development. We aim to introduce the HTE methodology to the healthcare area and provide feasibility consideration when translating the methodology with benchmark experiments on healthcare administrative claim data. Also, we want to use benchmark experiments to show how to interpret and evaluate the model when it is applied to healthcare research. By introducing the recent HTE techniques to a broad readership in biomedical informatics communities, we expect to promote the wide adoption of causal inference using machine learning. We also expect to provide the feasibility of HTE for personalized drug effectiveness.

Understanding the training dynamics of deep neural networks (DNNs) is important as it can lead to improved training efficiency and task performance. Recent works have demonstrated that representing the wirings of static graph cannot capture how DNNs change over the course of training. Thus, in this work, we propose a compact, expressive temporal graph framework that effectively captures the dynamics of many workhorse architectures in computer vision. Specifically, it extracts an informative summary of graph properties (e.g., eigenvector centrality) over a sequence of DNN graphs obtained during training. We demonstrate that our framework captures useful dynamics by accurately predicting trained, task performance when using a summary over early training epochs (<5) across four different architectures and two image datasets. Moreover, by using a novel, highly-scalable DNN graph representation, we also show that the proposed framework captures generalizable dynamics as summaries extracted from smaller-width networks are effective when evaluated on larger widths.

There is a growing concern that learned conditional generative models may output samples that are substantially similar to some copyrighted data $C$ that was in their training set. We give a formal definition of $\textit{near access-freeness (NAF)}$ and prove bounds on the probability that a model satisfying this definition outputs a sample similar to $C$, even if $C$ is included in its training set. Roughly speaking, a generative model $p$ is $\textit{$k$-NAF}$ if for every potentially copyrighted data $C$, the output of $p$ diverges by at most $k$-bits from the output of a model $q$ that $\textit{did not access $C$ at all}$. We also give generative model learning algorithms, which efficiently modify the original generative model learning algorithm in a black box manner, that output generative models with strong bounds on the probability of sampling protected content. Furthermore, we provide promising experiments for both language (transformers) and image (diffusion) generative models, showing minimal degradation in output quality while ensuring strong protections against sampling protected content.

Supervised machine learning has become the cornerstone of today's data-driven society, increasing the need for labeled data. However, the process of acquiring labels is often expensive and tedious. One possible remedy is to use active learning (AL) -- a special family of machine learning algorithms designed to reduce labeling costs. Although AL has been successful in practice, a number of practical challenges hinder its effectiveness and are often overlooked in existing AL annotation tools. To address these challenges, we developed ALANNO, an open-source annotation system for NLP tasks equipped with features to make AL effective in real-world annotation projects. ALANNO facilitates annotation management in a multi-annotator setup and supports a variety of AL methods and underlying models, which are easily configurable and extensible.  ( 2 min )

We present the TherapyView, a demonstration system to help therapists visualize the dynamic contents of past treatment sessions, enabled by the state-of-the-art neural topic modeling techniques to analyze the topical tendencies of various psychiatric conditions and deep learning-based image generation engine to provide a visual summary. The system incorporates temporal modeling to provide a time-series representation of topic similarities at a turn-level resolution and AI-generated artworks given the dialogue segments to provide a concise representations of the contents covered in the session, offering interpretable insights for therapists to optimize their strategies and enhance the effectiveness of psychotherapy. This system provides a proof of concept of AI-augmented therapy tools with e in-depth understanding of the patient's mental state and enabling more effective treatment.

In this note we extend the definition of the Information Processing Capacity (IPC) by Dambre et al [1] to include the effects of stochastic reservoir dynamics. We quantify the degradation of the IPC in the presence of this noise. [1] Dambre et al. Scientific Reports 2, 514, (2012)

Sparse system identification is the data-driven process of obtaining parsimonious differential equations that describe the evolution of a dynamical system, balancing model complexity and accuracy. There has been rapid innovation in system identification across scientific domains, but there remains a gap in the literature for large-scale methodological comparisons that are evaluated on a variety of dynamical systems. In this work, we systematically benchmark sparse regression variants by utilizing the dysts standardized database of chaotic systems. In particular, we demonstrate how this open-source tool can be used to quantitatively compare different methods of system identification. To illustrate how this benchmark can be utilized, we perform a large comparison of four algorithms for solving the sparse identification of nonlinear dynamics (SINDy) optimization problem, finding strong performance of the original algorithm and a recent mixed-integer discrete algorithm. In all cases, we used ensembling to improve the noise robustness of SINDy and provide statistical comparisons. In addition, we show very compelling evidence that the weak SINDy formulation provides significant improvements over the traditional method, even on clean data. Lastly, we investigate how Pareto-optimal models generated from SINDy algorithms depend on the properties of the equations, finding that the performance shows no significant dependence on a set of dynamical properties that quantify the amount of chaos, scale separation, degree of nonlinearity, and the syntactic complexity.

Traditional machine learning techniques require centralizing all training data on one server or data hub. Due to the development of communication technologies and a huge amount of decentralized data on many clients, collaborative machine learning has become the main interest while providing privacy-preserving frameworks. In particular, federated learning (FL) provides such a solution to learn a shared model while keeping training data at local clients. On the other hand, in a wide range of machine learning and signal processing applications, the desired solution naturally has a certain structure that can be framed as sparsity with respect to a certain dictionary. This problem can be formulated as an optimization problem with sparsity constraints and solving it efficiently has been one of the primary research topics in the traditional centralized setting. In this paper, we propose a novel algorithmic framework, federated gradient matching pursuit (FedGradMP), to solve the sparsity constrained minimization problem in the FL setting. We also generalize our algorithms to accommodate various practical FL scenarios when only a subset of clients participate per round, when the local model estimation at clients could be inexact, or when the model parameters are sparse with respect to general dictionaries. Our theoretical analysis shows the linear convergence of the proposed algorithms. A variety of numerical experiments are conducted to demonstrate the great potential of the proposed framework -- fast convergence both in communication rounds and computation time for many important scenarios without sophisticated parameter tuning.

The concept of Green AI has been gaining attention within the deep learning community given the recent trend of ever larger and more complex neural network models. Some large models have billions of parameters causing the training time to take up to hundreds of GPU/TPU-days. The estimated energy consumption can be comparable to the annual total energy consumption of a standard household. Existing solutions to reduce the computational burden usually involve pruning the network parameters, however, they often create extra overhead either by iterative training and fine-tuning for static pruning or repeated computation of a dynamic pruning graph. We propose a new parameter pruning strategy that finds the effective group of lightweight sub-networks that minimizes the energy cost while maintaining comparable performances to the full network on given downstream tasks. Our proposed pruning scheme is green-oriented, such that the scheme only requires one-off training to discover the optimal static sub-networks by dynamic pruning methods. The pruning scheme consists of a lightweight, differentiable, and binarized gating module and novel loss functions to uncover sub-networks with user-defined sparsity. Our method enables pruning and training simultaneously, which saves energy in both the training and inference phases and avoids extra computational overhead from gating modules at inference time. Our results on CIFAR-10 and CIFAR-100 suggest that our scheme can remove ~50% of connections in deep networks with <1% reduction in classification accuracy. Compared to other related pruning methods, our method has a lower accuracy drop for equivalent reductions in computational costs.

K-means Clustering is the most well-known partitioning algorithm among all clustering, by which we can partition the data objects very easily in to more than one clusters. However, for K-means to choose an appropriate number of clusters without any prior domain knowledge about the dataset is challenging, especially in high-dimensional data objects. Hence, we have implemented the Silhouette and Elbow methods with PCA to find an optimal number of clusters. Also, previously, so many meta-heuristic swarm intelligence algorithms inspired by nature have been employed to handle the automatic data clustering problem. Firefly is efficient and robust for automatic clustering. However, in the Firefly algorithm, the entire population is automatically subdivided into sub-populations that decrease the convergence rate speed and trapping to local minima in high-dimensional optimization problems. Thus, our study proposed an enhanced firefly, i.e., a hybridized K-means with an ODFA model for automatic clustering. The experimental part shows output and graphs of the Silhouette and Elbow methods as well as the Firefly algorithm

The most effective dimensionality reduction procedures produce interpretable features from the raw input space while also providing good performance for downstream supervised learning tasks. For many methods, this requires optimizing one or more hyperparameters for a specific task, which can limit generalizability. In this study we propose sparse compressed agglomeration (SparCA), a novel dimensionality reduction procedure that involves a multistep hierarchical feature grouping, compression, and feature selection process. We demonstrate the characteristics and performance of the SparCA method across heterogenous synthetic and real-world datasets, including images, natural language, and single cell gene expression data. Our results show that SparCA is applicable to a wide range of data types, produces highly interpretable features, and shows compelling performance on downstream supervised learning tasks without the need for hyperparameter tuning.

While quantum reinforcement learning (RL) has attracted a surge of attention recently, its theoretical understanding is limited. In particular, it remains elusive how to design provably efficient quantum RL algorithms that can address the exploration-exploitation trade-off. To this end, we propose a novel UCRL-style algorithm that takes advantage of quantum computing for tabular Markov decision processes (MDPs) with $S$ states, $A$ actions, and horizon $H$, and establish an $\mathcal{O}(\mathrm{poly}(S, A, H, \log T))$ worst-case regret for it, where $T$ is the number of episodes. Furthermore, we extend our results to quantum RL with linear function approximation, which is capable of handling problems with large state spaces. Specifically, we develop a quantum algorithm based on value target regression (VTR) for linear mixture MDPs with $d$-dimensional linear representation and prove that it enjoys $\mathcal{O}(\mathrm{poly}(d, H, \log T))$ regret. Our algorithms are variants of UCRL/UCRL-VTR algorithms in classical RL, which also leverage a novel combination of lazy updating mechanisms and quantum estimation subroutines. This is the key to breaking the $\Omega(\sqrt{T})$-regret barrier in classical RL. To the best of our knowledge, this is the first work studying the online exploration in quantum RL with provable logarithmic worst-case regret.

Reinforcement learning (RL) has shown great promise for developing dialogue management (DM) agents that are non-myopic, conduct rich conversations, and maximize overall user satisfaction. Despite recent developments in RL and language models (LMs), using RL to power conversational chatbots remains challenging, in part because RL requires online exploration to learn effectively, whereas collecting novel human-bot interactions can be expensive and unsafe. This issue is exacerbated by the combinatorial action spaces facing these algorithms, as most LM agents generate responses at the word level. We develop a variety of RL algorithms, specialized to dialogue planning, that leverage recent Mixture-of-Expert Language Models (MoE-LMs) -- models that capture diverse semantics, generate utterances reflecting different intents, and are amenable for multi-turn DM. By exploiting MoE-LM structure, our methods significantly reduce the size of the action space and improve the efficacy of RL-based DM. We evaluate our methods in open-domain dialogue to demonstrate their effectiveness w.r.t.\ the diversity of intent in generated utterances and overall DM performance.

Understanding and modelling the performance of neural architectures is key to Neural Architecture Search (NAS). Performance predictors have seen widespread use in low-cost NAS and achieve high ranking correlations between predicted and ground truth performance in several NAS benchmarks. However, existing predictors are often designed based on network encodings specific to a predefined search space and are therefore not generalizable to other search spaces or new architecture families. In this paper, we propose a general-purpose neural predictor for NAS that can transfer across search spaces, by representing any given candidate Convolutional Neural Network (CNN) with a Computation Graph (CG) that consists of primitive operators. We further combine our CG network representation with Contrastive Learning (CL) and propose a graph representation learning procedure that leverages the structural information of unlabeled architectures from multiple families to train CG embeddings for our performance predictor. Experimental results on NAS-Bench-101, 201 and 301 demonstrate the efficacy of our scheme as we achieve strong positive Spearman Rank Correlation Coefficient (SRCC) on every search space, outperforming several Zero-Cost Proxies, including Synflow and Jacov, which are also generalizable predictors across search spaces. Moreover, when using our proposed general-purpose predictor in an evolutionary neural architecture search algorithm, we can find high-performance architectures on NAS-Bench-101 and find a MobileNetV3 architecture that attains 79.2% top-1 accuracy on ImageNet.

Idiopathic ventricular arrhythmia (IVAs) is extra abnormal heartbeats disturbing the regular heart rhythm that can become fatal if left untreated. Cardiac catheter ablation is the standard approach to treat IVAs, however, a crucial prerequisite for the ablation is the localization of IVAs' origin. The current IVA localization techniques are invasive, rely on expert interpretation, or are inaccurate. In this study, we developed a new deep-learning algorithm that can automatically identify the origin of IVAs from ECG signals without the need for expert manual analysis. Our developed deep learning algorithm was comprised of a spatial fusion to extract the most informative features from multichannel ECG data, temporal modeling to capture the evolving pattern of the ECG time series, and an attention mechanism to weigh the most important temporal features and improve the model interpretability. The algorithm was validated on a 12-lead ECG dataset collected from 334 patients (230 females) who experienced IVA and successfully underwent a catheter ablation procedure that determined IVA's exact origins. The proposed method achieved an area under the curve of 93%, an accuracy of 94%, a sensitivity of 97%, a precision of 95%, and an F1 score of 96% in locating the origin of IVAs and outperformed existing automatic and semi-automatic algorithms. The proposed method shows promise toward automatic and noninvasive evaluation of IVA patients before cardiac catheter ablation.

Transformer architecture has become the fundamental element of the widespread natural language processing~(NLP) models. With the trends of large NLP models, the increasing memory and computation costs hinder their efficient deployment on resource-limited devices. Therefore, transformer quantization attracts wide research interest. Recent work recognizes that structured outliers are the critical bottleneck for quantization performance. However, their proposed methods increase the computation overhead and still leave the outliers there. To fundamentally address this problem, this paper delves into the inherent inducement and importance of the outliers. We discover that $\boldsymbol \gamma$ in LayerNorm (LN) acts as a sinful amplifier for the outliers, and the importance of outliers varies greatly where some outliers provided by a few tokens cover a large area but can be clipped sharply without negative impacts. Motivated by these findings, we propose an outlier suppression framework including two components: Gamma Migration and Token-Wise Clipping. The Gamma Migration migrates the outlier amplifier to subsequent modules in an equivalent transformation, contributing to a more quantization-friendly model without any extra burden. The Token-Wise Clipping takes advantage of the large variance of token range and designs a token-wise coarse-to-fine pipeline, obtaining a clipping range with minimal final quantization loss in an efficient way. This framework effectively suppresses the outliers and can be used in a plug-and-play mode. Extensive experiments prove that our framework surpasses the existing works and, for the first time, pushes the 6-bit post-training BERT quantization to the full-precision (FP) level. Our code is available at https://github.com/wimh966/outlier_suppression.

Counterfactual reasoning -- envisioning hypothetical scenarios, or possible worlds, where some circumstances are different from what (f)actually occurred (counter-to-fact) -- is ubiquitous in human cognition. Conventionally, counterfactually-altered circumstances have been treated as "small miracles" that locally violate the laws of nature while sharing the same initial conditions. In Pearl's structural causal model (SCM) framework this is made mathematically rigorous via interventions that modify the causal laws while the values of exogenous variables are shared. In recent years, however, this purely interventionist account of counterfactuals has increasingly come under scrutiny from both philosophers and psychologists. Instead, they suggest a backtracking account of counterfactuals, according to which the causal laws remain unchanged in the counterfactual world; differences to the factual world are instead "backtracked" to altered initial conditions (exogenous variables). In the present work, we explore and formalise this alternative mode of counterfactual reasoning within the SCM framework. Despite ample evidence that humans backtrack, the present work constitutes, to the best of our knowledge, the first general account and algorithmisation of backtracking counterfactuals. We discuss our backtracking semantics in the context of related literature and draw connections to recent developments in explainable artificial intelligence (XAI).

Poverty maps are essential tools for governments and NGOs to track socioeconomic changes and adequately allocate infrastructure and services in places in need. Sensor and online crowd-sourced data combined with machine learning methods have provided a recent breakthrough in poverty map inference. However, these methods do not capture local wealth fluctuations, and are not optimized to produce accountable results that guarantee accurate predictions to all sub-populations. Here, we propose a pipeline of machine learning models to infer the mean and standard deviation of wealth across multiple geographically clustered populated places, and illustrate their performance in Sierra Leone and Uganda. These models leverage seven independent and freely available feature sources based on satellite images, and metadata collected via online crowd-sourcing and social media. Our models show that combined metadata features are the best predictors of wealth in rural areas, outperforming image-based models, which are the best for predicting the highest wealth quintiles. Our results recover the local mean and variation of wealth, and correctly capture the positive yet non-monotonous correlation between them. We further demonstrate the capabilities and limitations of model transfer across countries and the effects of data recency and other biases. Our methodology provides open tools to build towards more transparent and interpretable models to help governments and NGOs to make informed decisions based on data availability, urbanization level, and poverty thresholds.

Estimating fluid dynamics is classically done through the simulation and integration of numerical models solving the Navier-Stokes equations, which is computationally complex and time-consuming even on high-end hardware. This is a notoriously hard problem to solve, which has recently been addressed with machine learning, in particular graph neural networks (GNN) and variants trained and evaluated on datasets of static objects in static scenes with fixed geometry. We attempt to go beyond existing work in complexity and introduce a new model, method and benchmark. We propose EAGLE, a large-scale dataset of 1.1 million 2D meshes resulting from simulations of unsteady fluid dynamics caused by a moving flow source interacting with nonlinear scene structure, comprised of 600 different scenes of three different types. To perform future forecasting of pressure and velocity on the challenging EAGLE dataset, we introduce a new mesh transformer. It leverages node clustering, graph pooling and global attention to learn long-range dependencies between spatially distant data points without needing a large number of iterations, as existing GNN methods do. We show that our transformer outperforms state-of-the-art performance on, both, existing synthetic and real datasets and on EAGLE. Finally, we highlight that our approach learns to attend to airflow, integrating complex information in a single iteration.

Recent advances in deep learning have relied heavily on the use of large Transformers due to their ability to learn at scale. However, the core building block of Transformers, the attention operator, exhibits quadratic cost in sequence length, limiting the amount of context accessible. Existing subquadratic methods based on low-rank and sparse approximations need to be combined with dense attention layers to match Transformers, indicating a gap in capability. In this work, we propose Hyena, a subquadratic drop-in replacement for attention constructed by interleaving implicitly parametrized long convolutions and data-controlled gating. In recall and reasoning tasks on sequences of thousands to hundreds of thousands of tokens, Hyena improves accuracy by more than 50 points over operators relying on state-spaces and other implicit and explicit methods, matching attention-based models. We set a new state-of-the-art for dense-attention-free architectures on language modeling in standard datasets (WikiText103 and The Pile), reaching Transformer quality with a 20% reduction in training compute required at sequence length 2K. Hyena operators are twice as fast as highly optimized attention at sequence length 8K, and 100x faster at sequence length 64K.

While Wav2Vec 2.0 has been proposed for speech recognition (ASR), it can also be used for speech emotion recognition (SER); its performance can be significantly improved using different fine-tuning strategies. Two baseline methods, vanilla fine-tuning (V-FT) and task adaptive pretraining (TAPT) are first presented. We show that V-FT is able to outperform state-of-the-art models on the IEMOCAP dataset. TAPT, an existing NLP fine-tuning strategy, further improves the performance on SER. We also introduce a novel fine-tuning method termed P-TAPT, which modifies the TAPT objective to learn contextualized emotion representations. Experiments show that P-TAPT performs better than TAPT, especially under low-resource settings. Compared to prior works in this literature, our top-line system achieved a 7.4\% absolute improvement in unweighted accuracy (UA) over the state-of-the-art performance on IEMOCAP. Our code is publicly available.

We consider infinite-horizon discounted Markov decision processes and study the convergence rates of the natural policy gradient (NPG) and the Q-NPG methods with the log-linear policy class. Using the compatible function approximation framework, both methods with log-linear policies can be written as inexact versions of the policy mirror descent (PMD) method. We show that both methods attain linear convergence rates and $\tilde{\mathcal{O}}(1/\epsilon^2)$ sample complexities using a simple, non-adaptive geometrically increasing step size, without resorting to entropy or other strongly convex regularization. Lastly, as a byproduct, we obtain sublinear convergence rates for both methods with arbitrary constant step size.

Active Learning (AL) has remained relatively unexplored for LiDAR perception tasks in autonomous driving datasets. In this study we evaluate Bayesian active learning methods applied to the task of dataset distillation or core subset selection (subset with near equivalent performance as full dataset). We also study the effect of application of data augmentation (DA) within Bayesian AL based dataset distillation. We perform these experiments on the full Semantic-KITTI dataset. We extend our study over our existing work only on 1/4th of the same dataset. Addition of DA and BALD have a negative impact over the labeling efficiency and thus the capacity to distill datasets. We demonstrate key issues in designing a functional AL framework and finally conclude with a review of challenges in real world active learning.

Trustworthy artificial intelligence (AI) technology has revolutionized daily life and greatly benefited human society. Among various AI technologies, Federated Learning (FL) stands out as a promising solution for diverse real-world scenarios, ranging from risk evaluation systems in finance to cutting-edge technologies like drug discovery in life sciences. However, challenges around data isolation and privacy threaten the trustworthiness of FL systems. Adversarial attacks against data privacy, learning algorithm stability, and system confidentiality are particularly concerning in the context of distributed training in federated learning. Therefore, it is crucial to develop FL in a trustworthy manner, with a focus on security, robustness, and privacy. In this survey, we propose a comprehensive roadmap for developing trustworthy FL systems and summarize existing efforts from three key aspects: security, robustness, and privacy. We outline the threats that pose vulnerabilities to trustworthy federated learning across different stages of development, including data processing, model training, and deployment. To guide the selection of the most appropriate defense methods, we discuss specific technical solutions for realizing each aspect of Trustworthy FL (TFL). Our approach differs from previous work that primarily discusses TFL from a legal perspective or presents FL from a high-level, non-technical viewpoint.

Federated Learning (FL) is a novel distributed machine learning approach to leverage data from Internet of Things (IoT) devices while maintaining data privacy. However, the current FL algorithms face the challenges of non-independent and identically distributed (non-IID) data, which causes high communication costs and model accuracy declines. To address the statistical imbalances in FL, we propose a clustered data sharing framework which spares the partial data from cluster heads to credible associates through device-to-device (D2D) communication. Moreover, aiming at diluting the data skew on nodes, we formulate the joint clustering and data sharing problem based on the privacy-preserving constrained graph. To tackle the serious coupling of decisions on the graph, we devise a distribution-based adaptive clustering algorithm (DACA) basing on three deductive cluster-forming conditions, which ensures the maximum yield of data sharing. The experiments show that the proposed framework facilitates FL on non-IID datasets with better convergence and model accuracy under a limited communication environment.

Deep learning recommendation systems serve personalized content under diverse tail-latency targets and input-query loads. In order to do so, state-of-the-art recommendation models rely on terabyte-scale embedding tables to learn user preferences over large bodies of contents. The reliance on a fixed embedding representation of embedding tables not only imposes significant memory capacity and bandwidth requirements but also limits the scope of compatible system solutions. This paper challenges the assumption of fixed embedding representations by showing how synergies between embedding representations and hardware platforms can lead to improvements in both algorithmic- and system performance. Based on our characterization of various embedding representations, we propose a hybrid embedding representation that achieves higher quality embeddings at the cost of increased memory and compute requirements. To address the system performance challenges of the hybrid representation, we propose MP-Rec -- a co-design technique that exploits heterogeneity and dynamic selection of embedding representations and underlying hardware platforms. On real system hardware, we demonstrate how matching custom accelerators, i.e., GPUs, TPUs, and IPUs, with compatible embedding representations can lead to 16.65x performance speedup. Additionally, in query-serving scenarios, MP-Rec achieves 2.49x and 3.76x higher correct prediction throughput and 0.19% and 0.22% better model quality on a CPU-GPU system for the Kaggle and Terabyte datasets, respectively.

Federated learning (FL) enables participating parties to collaboratively build a global model with boosted utility without disclosing private data information. Appropriate protection mechanisms have to be adopted to fulfill the opposing requirements in preserving \textit{privacy} and maintaining high model \textit{utility}. In addition, it is a mandate for a federated learning system to achieve high \textit{efficiency} in order to enable large-scale model training and deployment. We propose a unified federated learning framework that reconciles horizontal and vertical federated learning. Based on this framework, we formulate and quantify the trade-offs between privacy leakage, utility loss, and efficiency reduction, which leads us to the No-Free-Lunch (NFL) theorem for the federated learning system. NFL indicates that it is unrealistic to expect an FL algorithm to simultaneously provide excellent privacy, utility, and efficiency in certain scenarios. We then analyze the lower bounds for the privacy leakage, utility loss and efficiency reduction for several widely-adopted protection mechanisms including \textit{Randomization}, \textit{Homomorphic Encryption}, \textit{Secret Sharing} and \textit{Compression}. Our analysis could serve as a guide for selecting protection parameters to meet particular requirements.

Neural Cellular Automata (NCA) models have shown remarkable capacity for pattern formation and complex global behaviors stemming from local coordination. However, in the original implementation of NCA, cells are incapable of adjusting their own orientation, and it is the responsibility of the model designer to orient them externally. A recent isotropic variant of NCA (Growing Isotropic Neural Cellular Automata) makes the model orientation-independent - cells can no longer tell up from down, nor left from right - by removing its dependency on perceiving the gradient of spatial states in its neighborhood. In this work, we revisit NCA with a different approach: we make each cell responsible for its own orientation by allowing it to "turn" as determined by an adjustable internal state. The resulting Steerable NCA contains cells of varying orientation embedded in the same pattern. We observe how, while Isotropic NCA are orientation-agnostic, Steerable NCA have chirality: they have a predetermined left-right symmetry. We therefore show that we can train Steerable NCA in similar but simpler ways than their Isotropic variant by: (1) breaking symmetries using only two seeds, or (2) introducing a rotation-invariant training objective and relying on asynchronous cell updates to break the up-down symmetry of the system.

Deep neural networks have demonstrated remarkable performance in many data-driven and prediction-oriented applications, and sometimes even perform better than humans. However, their most significant drawback is the lack of interpretability, which makes them less attractive in many real-world applications. When relating to the moral problem or the environmental factors that are uncertain such as crime judgment, financial analysis, and medical diagnosis, it is essential to mine the evidence for the model's prediction (interpret model knowledge) to convince humans. Thus, investigating how to interpret model knowledge is of paramount importance for both academic research and real applications.

Businesses and customers can gain valuable information from product reviews. The sheer number of reviews often necessitates ranking them based on their potential helpfulness. However, only a few reviews ever receive any helpfulness votes on online marketplaces. Sorting all reviews based on the few existing votes can cause helpful reviews to go unnoticed because of the limited attention span of readers. The problem of review helpfulness prediction is even more important for higher review volumes, and newly written reviews or launched products. In this work we compare the use of RoBERTa and XLM-R language models to predict the helpfulness of online product reviews. The contributions of our work in relation to literature include extensively investigating the efficacy of state-of-the-art language models -- both monolingual and multilingual -- against a robust baseline, taking ranking metrics into account when assessing these approaches, and assessing multilingual models for the first time. We employ the Amazon review dataset for our experiments. According to our study on several product categories, multilingual and monolingual pre-trained language models outperform the baseline that utilizes random forest with handcrafted features as much as 23% in RMSE. Pre-trained language models reduce the need for complex text feature engineering. However, our results suggest that pre-trained multilingual models may not be used for fine-tuning only one language. We assess the performance of language models with and without additional features. Our results show that including additional features like product rating by the reviewer can further help the predictive methods.

Pretrained large language models (LLMs) are becoming increasingly powerful and ubiquitous in mainstream applications such as being a personal assistant, a dialogue model, etc. As these models become proficient in deducing user preferences and offering tailored assistance, there is an increasing concern about the ability of these models to influence, modify and in the extreme case manipulate user preference adversarially. The issue of lack of interpretability in these models in adversarial settings remains largely unsolved. This work tries to study adversarial behavior in user preferences from the lens of attention probing, red teaming and white-box analysis. Specifically, it provides a bird's eye view of existing literature, offers red teaming samples for dialogue models like ChatGPT and GODEL and probes the attention mechanism in the latter for non-adversarial and adversarial settings.

We introduce a method to measure uncertainty in large language models. For tasks like question answering, it is essential to know when we can trust the natural language outputs of foundation models. We show that measuring uncertainty in natural language is challenging because of "semantic equivalence" -- different sentences can mean the same thing. To overcome these challenges we introduce semantic entropy -- an entropy which incorporates linguistic invariances created by shared meanings. Our method is unsupervised, uses only a single model, and requires no modifications to off-the-shelf language models. In comprehensive ablation studies we show that the semantic entropy is more predictive of model accuracy on question answering data sets than comparable baselines.

This paper summarises the findings from the VoxCeleb Speaker Recognition Challenge 2022 (VoxSRC-22), which was held in conjunction with INTERSPEECH 2022. The goal of this challenge was to evaluate how well state-of-the-art speaker recognition systems can diarise and recognise speakers from speech obtained "in the wild". The challenge consisted of: (i) the provision of publicly available speaker recognition and diarisation data from YouTube videos together with ground truth annotation and standardised evaluation software; and (ii) a public challenge and hybrid workshop held at INTERSPEECH 2022. We describe the four tracks of our challenge along with the baselines, methods, and results. We conclude with a discussion on the new domain-transfer focus of VoxSRC-22, and on the progression of the challenge from the previous three editions.

Dynamic diagnosis is desirable when medical tests are costly or time-consuming. In this work, we use reinforcement learning (RL) to find a dynamic policy that selects lab test panels sequentially based on previous observations, ensuring accurate testing at a low cost. Clinical diagnostic data are often highly imbalanced; therefore, we aim to maximize the $F_1$ score instead of the error rate. However, optimizing the non-concave $F_1$ score is not a classic RL problem, thus invalidates standard RL methods. To remedy this issue, we develop a reward shaping approach, leveraging properties of the $F_1$ score and duality of policy optimization, to provably find the set of all Pareto-optimal policies for budget-constrained $F_1$ score maximization. To handle the combinatorially complex state space, we propose a Semi-Model-based Deep Diagnosis Policy Optimization (SM-DDPO) framework that is compatible with end-to-end training and online learning. SM-DDPO is tested on diverse clinical tasks: ferritin abnormality detection, sepsis mortality prediction, and acute kidney injury diagnosis. Experiments with real-world data validate that SM-DDPO trains efficiently and identifies all Pareto-front solutions. Across all tasks, SM-DDPO is able to achieve state-of-the-art diagnosis accuracy (in some cases higher than conventional methods) with up to $85\%$ reduction in testing cost. The code is available at [https://github.com/Zheng321/Blood_Panel].

An accurate and explainable automatic monitoring system is critical for the safety of high efficiency energy conversion plants that operate under extreme working condition. Nonetheless, currently available data-driven monitoring systems often fall short in meeting the requirements for either high-accuracy or interpretability, which hinders their application in practice. To overcome this limitation, a data-driven approach, AttentionMixer, is proposed under a generalized message passing framework, with the goal of establishing an accurate and interpretable radiation monitoring framework for energy conversion plants. To improve the model accuracy, the first technical contribution involves the development of spatial and temporal adaptive message passing blocks, which enable the capture of spatial and temporal correlations, respectively; the two blocks are cascaded through a mixing operator. To enhance the model interpretability, the second technical contribution involves the implementation of a sparse message passing regularizer, which eliminates spurious and noisy message passing routes. The effectiveness of the AttentionMixer approach is validated through extensive evaluations on a monitoring benchmark collected from the national radiation monitoring network for nuclear power plants, resulting in enhanced monitoring accuracy and interpretability in practice.

Anomaly detection techniques enable effective anomaly detection and diagnosis in multi-variate time series data, which are of major significance for today's industrial applications. However, establishing an anomaly detection system that can be rapidly and accurately located is a challenging problem due to the lack of outlier tags, the high dimensional complexity of the data, memory bottlenecks in the actual hardware, and the need for fast reasoning. We have proposed an anomaly detection and diagnosis model--DTAAD in this paper, based on Transformer and Dual TCN. Our overall model will be an integrated design in which AR combines AE structures, introducing scaling methods and feedback mechanisms to improve prediction accuracy and expand correlation differences. The Dual TCN-Attention Network(DTA) constructed by us only uses a single layer of Transformer encoder in our baseline experiment, which belongs to an ultra-lightweight model. Our extensive experiments on six publicly datasets validate that DTAAD exceeds current most advanced baseline methods in both detection and diagnostic performance. Specifically, DTAAD improved F1 scores by $8.38\%$, and reduced training time by $99\%$ compared to baseline. The code and training scripts are publicly on GitHub at https://github.com/Yu-Lingrui/DTAAD.

Mapping crops using remote sensing technology is important for food security and land management. Machine learning-based methods has become a popular approach for crop mapping in recent years. However, the key to machine learning, acquiring ample and accurate samples, is usually time-consuming and laborious. To solve this problem, a crop mapping method in the small sample/no sample case that integrating domain knowledge and using a cascaded classification framework that combine a weak classifier learned from samples with strong features and a strong classifier trained by samples with weak feature was proposed. First, based on the domain knowledge of various crops, a low-capacity classifier such as decision tree was applied to acquire those pixels with distinctive features and complete observation sequences as "strong feature" samples. Then, to improve the representativeness of these samples, sample augmentation strategy that artificially remove the observations of "strong feature" samples according to the average valid observation proportion in target area was applied. Finally, based on the original samples and augmented samples, a large-capacity classifier such as random forest was trained for crop mapping. The method achieved an overall accuracy of 82% in the MAP crop recognition competition held by Syngenta Group, China in 2021 (third prize, ranked fourth). This method integrates domain knowledge to overcome the difficulties of sample acquisition, providing a convenient, fast and accurate solution for crop mapping.

Monkeypox is a rare disease that raised concern among medical specialists following the convi-19 pandemic. It's concerning since monkeypox is difficult to diagnose early on because of symptoms that are similar to chickenpox and measles. Furthermore, because this is a rare condition, there is a knowledge gap among healthcare professionals. As a result, there is an urgent need for a novel technique to combat and anticipate the disease in the early phases of individual virus infection. Multiple CNN-based pre-trained models, including VGG-16, VGG-19, Restnet50, Inception-V3, Densnet, Xception, MobileNetV2, Alexnet, Lenet, and majority Voting, were employed in classification in this study. For this study, multiple data sets were combined, such as monkeypox vs chickenpox, monkeypox versus measles, monkeypox versus normal, and monkeypox versus all diseases. Majority voting performed 97% in monkeypox vs chickenpox, Xception achieved 79% in monkeypox against measles, MobileNetV2 scored 96% in monkeypox vs normal, and Lenet performed 80% in monkeypox versus all.

Active learning has demonstrated data efficiency in many fields. Existing active learning algorithms, especially in the context of batch-mode deep Bayesian active models, rely heavily on the quality of uncertainty estimations of the model, and are often challenging to scale to large batches. In this paper, we propose Batch-BALanCe, a scalable batch-mode active learning algorithm, which combines insights from decision-theoretic active learning, combinatorial information measure, and diversity sampling. At its core, Batch-BALanCe relies on a novel decision-theoretic acquisition function that facilitates differentiation among different equivalence classes. Intuitively, each equivalence class consists of hypotheses (e.g., posterior samples of deep neural networks) with similar predictions, and Batch-BALanCe adaptively adjusts the size of the equivalence classes as learning progresses. To scale up the computation of queries to large batches, we further propose an efficient batch-mode acquisition procedure, which aims to maximize a novel information measure defined through the acquisition function. We show that our algorithm can effectively handle realistic multi-class classification tasks, and achieves compelling performance on several benchmark datasets for active learning under both low- and large-batch regimes. Reference code is released at https://github.com/zhangrenyuuchicago/BALanCe.

Recently, researchers observed that gradient descent for deep neural networks operates in an ``edge-of-stability'' (EoS) regime: the sharpness (maximum eigenvalue of the Hessian) is often larger than stability threshold $2/\eta$ (where $\eta$ is the step size). Despite this, the loss oscillates and converges in the long run, and the sharpness at the end is just slightly below $2/\eta$. While many other well-understood nonconvex objectives such as matrix factorization or two-layer networks can also converge despite large sharpness, there is often a larger gap between sharpness of the endpoint and $2/\eta$. In this paper, we study EoS phenomenon by constructing a simple function that has the same behavior. We give rigorous analysis for its training dynamics in a large local region and explain why the final converging point has sharpness close to $2/\eta$. Globally we observe that the training dynamics for our example has an interesting bifurcating behavior, which was also observed in the training of neural nets.

The progress in modelling time series and, more generally, sequences of structured-data has recently revamped research in anomaly detection. The task stands for identifying abnormal behaviours in financial series, IT systems, aerospace measurements, and the medical domain, where anomaly detection may aid in isolating cases of depression and attend the elderly. Anomaly detection in time series is a complex task since anomalies are rare due to highly non-linear temporal correlations and since the definition of anomalous is sometimes subjective. Here we propose the novel use of Hyperbolic uncertainty for Anomaly Detection (HypAD). HypAD learns self-supervisedly to reconstruct the input signal. We adopt best practices from the state-of-the-art to encode the sequence by an LSTM, jointly learnt with a decoder to reconstruct the signal, with the aid of GAN critics. Uncertainty is estimated end-to-end by means of a hyperbolic neural network. By using uncertainty, HypAD may assess whether it is certain about the input signal but it fails to reconstruct it because this is anomalous; or whether the reconstruction error does not necessarily imply anomaly, as the model is uncertain, e.g. a complex but regular input signal. The novel key idea is that a detectable anomaly is one where the model is certain but it predicts wrongly. HypAD outperforms the current state-of-the-art for univariate anomaly detection on established benchmarks based on data from NASA, Yahoo, Numenta, Amazon, Twitter. It also yields state-of-the-art performance on a multivariate dataset of anomaly activities in elderly home residences, and it outperforms the baseline on SWaT. Overall, HypAD yields the lowest false alarms at the best performance rate, thanks to successfully identifying detectable anomalies.

In probabilistic control a controller is designed by matching modelled with some arbitrary but desired closed-loop system trajectory distribution. In thisworkwe reviewseveral productive approaches to measure the proximity between probable and desired behaviour. We then illustrate how the associated optimization problems solve into uncertain policies. Our main result is to show that these probabilistic control objectives majorize conventional, stochastic and risk sensitive, optimal control objectives. This observation allows us to identify two probabilistic fixed point iterations that converge to the deterministic optimal control policies. Based on these insights we discuss directions for future algorithmic development and point out some remaining challenges.

Transformers have demonstrated impressive strength in long-term series forecasting. Existing prediction research mostly focused on mapping past short sub-series (lookback window) to future series (forecast window). The longer training dataset time series will be discarded, once training is completed. Models can merely rely on lookback window information for inference, which impedes models from analyzing time series from a global perspective. And these windows used by Transformers are quite narrow because they must model each time-step therein. Under this point-wise processing style, broadening windows will rapidly exhaust their model capacity. This, for fine-grained time series, leads to a bottleneck in information input and prediction output, which is mortal to long-term series forecasting. To overcome the barrier, we propose a brand-new methodology to utilize Transformer for time series forecasting. Specifically, we split time series into patches by day and reform point-wise to patch-wise processing, which considerably enhances the information input and output of Transformers. To further help models leverage the whole training set's global information during inference, we distill the information, store it in time representations, and replace series with time representations as the main modeling entities. Our designed time-modeling Transformer -- Dateformer yields state-of-the-art accuracy on 7 real-world datasets with a 33.6\% relative improvement and extends the maximum forecast range to half-year.

With the development of deep learning techniques, AI-enhanced numerical solvers are expected to become a new paradigm for solving differential equations due to their versatility and effectiveness in alleviating the accuracy-speed trade-off in traditional numerical solvers. However, this paradigm still inevitably requires a large amount of high-quality data, whose acquisition is often very expensive in natural science and engineering problems. Therefore, in this paper, we explore training efficient and robust AI-enhanced numerical solvers with a small data size by mitigating intrinsic noise disturbances. We first analyze the ability of the self-attention mechanism to regulate noise in supervised learning and then propose a simple-yet-effective numerical solver, AttSolver, which introduces an additive self-attention mechanism to the numerical solution of differential equations based on the dynamical system perspective of the residual neural network. Our results on benchmarks, ranging from high-dimensional problems to chaotic systems, demonstrate the effectiveness of AttSolver in generally improving the performance of existing traditional numerical solvers without any elaborated model crafting. Finally, we analyze the convergence, generalization, and robustness of the proposed method experimentally and theoretically.

Multi-view data are commonly encountered in data mining applications. Effective extraction of information from multi-view data requires specific design of clustering methods to cater for data with multiple views, which is non-trivial and challenging. In this paper, we propose a novel one-step multi-view clustering method by exploiting the dual representation of both the common and specific information of different views. The motivation originates from the rationale that multi-view data contain not only the consistent knowledge between views but also the unique knowledge of each view. Meanwhile, to make the representation learning more specific to the clustering task, a one-step learning framework is proposed to integrate representation learning and clustering partition as a whole. With this framework, the representation learning and clustering partition mutually benefit each other, which effectively improve the clustering performance. Results from extensive experiments conducted on benchmark multi-view datasets clearly demonstrate the superiority of the proposed method.

Model-based reinforcement learning uses models to plan, where the predictions and policies of an agent can be improved by using more computation without additional data from the environment, thereby improving sample efficiency. However, learning accurate estimates of the model is hard. Subsequently, the natural question is whether we can get similar benefits as planning with model-free methods. Experience replay is an essential component of many model-free algorithms enabling sample-efficient learning and stability by providing a mechanism to store past experiences for further reuse in the gradient computational process. Prior works have established connections between models and experience replay by planning with the latter. This involves increasing the number of times a mini-batch is sampled and used for updates at each step (amount of replay per step). We attempt to exploit this connection by doing a systematic study on the effect of varying amounts of replay per step in a well-known model-free algorithm: Deep Q-Network (DQN) in the Mountain Car environment. We empirically show that increasing replay improves DQN's sample efficiency, reduces the variation in its performance, and makes it more robust to change in hyperparameters. Altogether, this takes a step toward a better algorithm for deployment.

Cross-sectional strategies are a classical and popular trading style, with recent high performing variants incorporating sophisticated neural architectures. While these strategies have been applied successfully to data-rich settings involving mature assets with long histories, deploying them on instruments with limited samples generally produce over-fitted models with degraded performance. In this paper, we introduce Fused Encoder Networks -- a novel and hybrid parameter-sharing transfer ranking model. The model fuses information extracted using an encoder-attention module operated on a source dataset with a similar but separate module focused on a smaller target dataset of interest. This mitigates the issue of models with poor generalisability that are a consequence of training on scarce target data. Additionally, the self-attention mechanism enables interactions among instruments to be accounted for, not just at the loss level during model training, but also at inference time. Focusing on momentum applied to the top ten cryptocurrencies by market capitalisation as a demonstrative use-case, the Fused Encoder Networks outperforms the reference benchmarks on most performance measures, delivering a three-fold boost in the Sharpe ratio over classical momentum as well as an improvement of approximately 50% against the best benchmark model without transaction costs. It continues outperforming baselines even after accounting for the high transaction costs associated with trading cryptocurrencies.

Due to various and serious adverse impacts of spreading fake news, it is often known that only people with malicious intent would propagate fake news. However, it is not necessarily true based on social science studies. Distinguishing the types of fake news spreaders based on their intent is critical because it will effectively guide how to intervene to mitigate the spread of fake news with different approaches. To this end, we propose an intent classification framework that can best identify the correct intent of fake news. We will leverage deep reinforcement learning (DRL) that can optimize the structural representation of each tweet by removing noisy words from the input sequence when appending an actor to the long short-term memory (LSTM) intent classifier. Policy gradient DRL model (e.g., REINFORCE) can lead the actor to a higher delayed reward. We also devise a new uncertainty-aware immediate reward using a subjective opinion that can explicitly deal with multidimensional uncertainty for effective decision-making. Via 600K training episodes from a fake news tweets dataset with an annotated intent class, we evaluate the performance of uncertainty-aware reward in DRL. Evaluation results demonstrate that our proposed framework efficiently reduces the number of selected words to maintain a high 95\% multi-class accuracy.

The long acquisition time has limited the accessibility of magnetic resonance imaging (MRI) because it leads to patient discomfort and motion artifacts. Although several MRI techniques have been proposed to reduce the acquisition time, compressed sensing in magnetic resonance imaging (CS-MRI) enables fast acquisition without compromising SNR and resolution. However, existing CS-MRI methods suffer from the challenge of aliasing artifacts. This challenge results in the noise-like textures and missing the fine details, thus leading to unsatisfactory reconstruction performance. To tackle this challenge, we propose a hierarchical perception adversarial learning framework (HP-ALF). HP-ALF can perceive the image information in the hierarchical mechanism: image-level perception and patch-level perception. The former can reduce the visual perception difference in the entire image, and thus achieve aliasing artifact removal. The latter can reduce this difference in the regions of the image, and thus recover fine details. Specifically, HP-ALF achieves the hierarchical mechanism by utilizing multilevel perspective discrimination. This discrimination can provide the information from two perspectives (overall and regional) for adversarial learning. It also utilizes a global and local coherent discriminator to provide structure information to the generator during training. In addition, HP-ALF contains a context-aware learning block to effectively exploit the slice information between individual images for better reconstruction performance. The experiments validated on three datasets demonstrate the effectiveness of HP-ALF and its superiority to the comparative methods.

Costly, noisy, and over-specialized, labels are to be set aside in favor of unsupervised learning if we hope to learn cheap, reliable, and transferable models. To that end, spectral embedding, self-supervised learning, or generative modeling have offered competitive solutions. Those methods however come with numerous challenges \textit{e.g.} estimating geodesic distances, specifying projector architectures and anti-collapse losses, or specifying decoder architectures and reconstruction losses. In contrast, we introduce a simple explainable alternative -- coined \textbf{DIET} -- to learn representations from unlabeled data, free of those challenges. \textbf{DIET} is blatantly simple: take one's favorite classification setup and use the \textbf{D}atum \textbf{I}nd\textbf{E}x as its \textbf{T}arget class, \textit{i.e. each sample is its own class}, no further changes needed. \textbf{DIET} works without a decoder/projector network, is not based on positive pairs nor reconstruction, introduces no hyper-parameters, and works out-of-the-box across datasets and architectures. Despite \textbf{DIET}'s simplicity, the learned representations are of high-quality and often on-par with the state-of-the-art \textit{e.g.} using a linear classifier on top of DIET's learned representation reaches $71.4\%$ on CIFAR100 with a Resnet101, $52.5\%$ on TinyImagenet with a Resnext50.

Recent work on neural algorithmic reasoning has investigated the reasoning capabilities of neural networks, effectively demonstrating they can learn to execute classical algorithms on unseen data coming from the train distribution. However, the performance of existing neural reasoners significantly degrades on out-of-distribution (OOD) test data, where inputs have larger sizes. In this work, we make an important observation: there are many \emph{different} inputs for which an algorithm will perform certain intermediate computations \emph{identically}. This insight allows us to develop data augmentation procedures that, given an algorithm's intermediate trajectory, produce inputs for which the target algorithm would have \emph{exactly} the same next trajectory step. Then, we employ a causal framework to design a corresponding self-supervised objective, and we prove that it improves the OOD generalisation capabilities of the reasoner. We evaluate our method on the CLRS algorithmic reasoning benchmark, where we show up to 3$\times$ improvements on the OOD test data.

Experience replay is crucial for off-policy reinforcement learning (RL) methods. By remembering and reusing the experiences from past different policies, experience replay significantly improves the training efficiency and stability of RL algorithms. Many decision-making problems in practice naturally involve multiple agents and require multi-agent reinforcement learning (MARL) under centralized training decentralized execution paradigm. Nevertheless, existing MARL algorithms often adopt standard experience replay where the transitions are uniformly sampled regardless of their importance. Finding prioritized sampling weights that are optimized for MARL experience replay has yet to be explored. To this end, we propose \name, which formulates optimal prioritized experience replay for multi-agent problems as a regret minimization over the sampling weights of transitions. Such optimization is relaxed and solved using the Lagrangian multiplier approach to obtain the close-form optimal sampling weights. By minimizing the resulting policy regret, we can narrow the gap between the current policy and a nominal optimal policy, thus acquiring an improved prioritization scheme for multi-agent tasks. Our experimental results on Predator-Prey and StarCraft Multi-Agent Challenge environments demonstrate the effectiveness of our method, having a better ability to replay important transitions and outperforming other state-of-the-art baselines.  ( 2 min )

Time series forecasting (TSF) is one of the most important tasks in data science given the fact that accurate time series (TS) predictive models play a major role across a wide variety of domains including finance, transportation, health care, and power systems. Real-world utilization of machine learning (ML) typically involves (pre-)training models on collected, historical data and then applying them to unseen data points. However, in real-world applications, time series data streams are usually non-stationary and trained ML models usually, over time, face the problem of data or concept drift. To address this issue, models must be periodically retrained or redesigned, which takes significant human and computational resources. Additionally, historical data may not even exist to re-train or re-design model with. As a result, it is highly desirable that models are designed and trained in an online fashion. This work presents the Online NeuroEvolution-based Neural Architecture Search (ONE-NAS) algorithm, which is a novel neural architecture search method capable of automatically designing and dynamically training recurrent neural networks (RNNs) for online forecasting tasks. Without any pre-training, ONE-NAS utilizes populations of RNNs that are continuously updated with new network structures and weights in response to new multivariate input data. ONE-NAS is tested on real-world, large-scale multivariate wind turbine data as well as the univariate Dow Jones Industrial Average (DJIA) dataset. Results demonstrate that ONE-NAS outperforms traditional statistical time series forecasting methods, including online linear regression, fixed long short-term memory (LSTM) and gated recurrent unit (GRU) models trained online, as well as state-of-the-art, online ARIMA strategies.  ( 2 min )

Deep neural networks have repeatedly been shown to be non-robust to the uncertainties of the real world. Even subtle adversarial attacks and naturally occurring distribution shifts wreak havoc on systems relying on deep neural networks. In response to this, current state-of-the-art techniques use data-augmentation to enrich the training distribution of the model and consequently improve robustness to natural distribution shifts. We propose an alternative approach that allows the system to recover from distribution shifts online. Specifically, our method applies a sequence of semantic-preserving transformations to bring the shifted data closer in distribution to the training set, as measured by the Wasserstein distance. We formulate the problem of sequence selection as an MDP, which we solve using reinforcement learning. To aid in our estimates of Wasserstein distance, we employ dimensionality reduction through orthonormal projection. We provide both theoretical and empirical evidence that orthonormal projection preserves characteristics of the data at the distributional level. Finally, we apply our distribution shift recovery approach to the ImageNet-C benchmark for distribution shifts, targeting shifts due to additive noise and image histogram modifications. We demonstrate an improvement in average accuracy up to 14.21% across a variety of state-of-the-art ImageNet classifiers.  ( 2 min )

This paper presents a quantum-based Fourier-regression approach for machine learning hyperparameter optimization applied to a benchmark of models trained on a dataset related to a forecast problem in the airline industry. Our approach utilizes the Fourier series method to represent the hyperparameter search space, which is then optimized using quantum algorithms to find the optimal set of hyperparameters for a given machine learning model. Our study evaluates the proposed method on a benchmark of models trained to predict a forecast problem in the airline industry using a standard HyperParameter Optimizer (HPO). The results show that our approach outperforms traditional hyperparameter optimization methods in terms of accuracy and convergence speed for the given search space. Our study provides a new direction for future research in quantum-based machine learning hyperparameter optimization.  ( 2 min )

In this paper, we propose a generic framework for active clustering with queries for pairwise similarities between objects. First, the pairwise similarities can be any positive or negative number, yielding full flexibility in the type of feedback that a user/annotator can provide. Second, the process of querying pairwise similarities is separated from the clustering algorithm, leading to more flexibility in how the query strategies can be constructed. Third, the queries are robust to noise by allowing multiple queries for the same pairwise similarity (i.e., a non-persistent noise model is assumed). Finally, the number of clusters is automatically identified based on the currently known pairwise similarities. In addition, we propose and analyze a number of novel query strategies suited to this active clustering framework. We demonstrate the effectiveness of our framework and the proposed query strategies via several experimental studies.  ( 2 min )

Existing language and vision models achieve impressive performance in image-text understanding. Yet, it is an open question to what extent they can be used for language understanding in 3D environments and whether they implicitly acquire 3D object knowledge, e.g. about different views of an object. In this paper, we investigate whether a state-of-the-art language and vision model, CLIP, is able to ground perspective descriptions of a 3D object and identify canonical views of common objects based on text queries. We present an evaluation framework that uses a circling camera around a 3D object to generate images from different viewpoints and evaluate them in terms of their similarity to natural language descriptions. We find that a pre-trained CLIP model performs poorly on most canonical views and that fine-tuning using hard negative sampling and random contrasting yields good results even under conditions with little available training data.  ( 2 min )

On graph data, the multitude of node or edge types gives rise to heterogeneous information networks (HINs). To preserve the heterogeneous semantics on HINs, the rich node/edge types become a cornerstone of HIN representation learning. However, in real-world scenarios, type information is often noisy, missing or inaccessible. Assuming no type information is given, we define a so-called latent heterogeneous graph (LHG), which carries latent heterogeneous semantics as the node/edge types cannot be observed. In this paper, we study the challenging and unexplored problem of link prediction on an LHG. As existing approaches depend heavily on type-based information, they are suboptimal or even inapplicable on LHGs. To address the absence of type information, we propose a model named LHGNN, based on the novel idea of semantic embedding at node and path levels, to capture latent semantics on and between nodes. We further design a personalization function to modulate the heterogeneous contexts conditioned on their latent semantics w.r.t. the target node, to enable finer-grained aggregation. Finally, we conduct extensive experiments on four benchmark datasets, and demonstrate the superior performance of LHGNN.  ( 2 min )

Unsupervised out-of-distribution detection (OOD) seeks to identify out-of-domain data by learning only from unlabeled in-domain data. We present a novel approach for this task - Lift, Map, Detect (LMD) - that leverages recent advancement in diffusion models. Diffusion models are one type of generative models. At their core, they learn an iterative denoising process that gradually maps a noisy image closer to their training manifolds. LMD leverages this intuition for OOD detection. Specifically, LMD lifts an image off its original manifold by corrupting it, and maps it towards the in-domain manifold with a diffusion model. For an out-of-domain image, the mapped image would have a large distance away from its original manifold, and LMD would identify it as OOD accordingly. We show through extensive experiments that LMD achieves competitive performance across a broad variety of datasets.  ( 2 min )

We study the fair regression problem under the notion of Mean Parity (MP) fairness, which requires the conditional mean of the learned function output to be constant with respect to the sensitive attributes. We address this problem by leveraging reproducing kernel Hilbert space (RKHS) to construct the functional space whose members are guaranteed to satisfy the fairness constraints. The proposed functional space suggests a closed-form solution for the fair regression problem that is naturally compatible with multiple sensitive attributes. Furthermore, by formulating the fairness-accuracy tradeoff as a relaxed fair regression problem, we derive a corresponding regression function that can be implemented efficiently and provides interpretable tradeoffs. More importantly, under some mild assumptions, the proposed method can be applied to regression problems with a covariance-based notion of fairness. Experimental results on benchmark datasets show the proposed methods achieve competitive and even superior performance compared with several state-of-the-art methods.  ( 2 min )

Understanding the complexity of sampling from a strongly log-concave and log-smooth distribution $\pi$ on $\mathbb{R}^d$ to high accuracy is a fundamental problem, both from a practical and theoretical standpoint. In practice, high-accuracy samplers such as the classical Metropolis-adjusted Langevin algorithm (MALA) remain the de facto gold standard; and in theory, via the proximal sampler reduction, it is understood that such samplers are key for sampling even beyond log-concavity (in particular, for distributions satisfying isoperimetric assumptions). In this work, we improve the dimension dependence of this sampling problem to $\tilde{O}(d^{1/2})$, whereas the previous best result for MALA was $\tilde{O}(d)$. This closes the long line of work on the complexity of MALA, and moreover leads to state-of-the-art guarantees for high-accuracy sampling under strong log-concavity and beyond (thanks to the aforementioned reduction). Our starting point is that the complexity of MALA improves to $\tilde{O}(d^{1/2})$, but only under a warm start (an initialization with constant R\'enyi divergence w.r.t. $\pi$). Previous algorithms took much longer to find a warm start than to use it, and closing this gap has remained an important open problem in the field. Our main technical contribution settles this problem by establishing the first $\tilde{O}(d^{1/2})$ R\'enyi mixing rates for the discretized underdamped Langevin diffusion. For this, we develop new differential-privacy-inspired techniques based on R\'enyi divergences with Orlicz--Wasserstein shifts, which allow us to sidestep longstanding challenges for proving fast convergence of hypocoercive differential equations.  ( 2 min )

Social events reflect the dynamics of society and, here, natural disasters and emergencies receive significant attention. The timely detection of these events can provide organisations and individuals with valuable information to reduce or avoid losses. However, due to the complex heterogeneities of the content and structure of social media, existing models can only learn limited information; large amounts of semantic and structural information are ignored. In addition, due to high labour costs, it is rare for social media datasets to include high-quality labels, which also makes it challenging for models to learn information from social media. In this study, we propose two hyperbolic graph representation-based methods for detecting social events from heterogeneous social media environments. For cases where a dataset has labels, we designed a Hyperbolic Social Event Detection (HSED) model that converts complex social information into a unified social message graph. This model addresses the heterogeneity of social media, and, with this graph, the information in social media can be used to capture structural information based on the properties of hyperbolic space. For cases where the dataset is unlabelled, we designed an Unsupervised Hyperbolic Social Event Detection (UHSED). This model is based on the HSED model but includes graph contrastive learning to make it work in unlabelled scenarios. Extensive experiments demonstrate the superiority of the proposed approaches.  ( 2 min )

Recent years have witnessed astonishing advances in the field of multimodal representation learning, with contrastive learning being the cornerstone for major breakthroughs. Latest works delivered further improvements by incorporating different objectives such as masked modeling and captioning into the frameworks, but our understanding on how these objectives facilitate learning remains vastly incomplete. In this paper, we leverage the fact that classifier-guided diffusion models generate images that reflect the semantic signals provided by the classifier to study the characteristics of multimodal learning objectives. Specifically, we compare contrastive, matching and captioning loss in terms of their semantic signals, and introduce a simple baseline that not only supports our analyses but also improves the quality of generative guidance in a straightforward manner.  ( 2 min )

In this work, we develop a novel input feature selection framework for ReLU-based deep neural networks (DNNs), which builds upon a mixed-integer optimization approach. While the method is generally applicable to various classification tasks, we focus on finding input features for image classification for clarity of presentation. The idea is to use a trained DNN, or an ensemble of trained DNNs, to identify the salient input features. The input feature selection is formulated as a sequence of mixed-integer linear programming (MILP) problems that find sets of sparse inputs that maximize the classification confidence of each category. These ''inverse'' problems are regularized by the number of inputs selected for each category and by distribution constraints. Numerical results on the well-known MNIST and FashionMNIST datasets show that the proposed input feature selection allows us to drastically reduce the size of the input to $\sim$15\% while maintaining a good classification accuracy. This allows us to design DNNs with significantly fewer connections, reducing computational effort and producing DNNs that are more robust towards adversarial attacks.  ( 2 min )

Well-performed deep neural networks (DNNs) generally require massive labelled data and computational resources for training. Various watermarking techniques are proposed to protect such intellectual properties (IPs), wherein the DNN providers implant secret information into the model so that they can later claim IP ownership by retrieving their embedded watermarks with some dedicated trigger inputs. While promising results are reported in the literature, existing solutions suffer from watermark removal attacks, such as model fine-tuning and model pruning. In this paper, we propose a novel DNN watermarking solution that can effectively defend against the above attacks. Our key insight is to enhance the coupling of the watermark and model functionalities such that removing the watermark would inevitably degrade the model's performance on normal inputs. To this end, unlike previous methods relying on secret features learnt from out-of-distribution data, our method only uses features learnt from in-distribution data. Specifically, on the one hand, we propose to sample inputs from the original training dataset and fuse them as watermark triggers. On the other hand, we randomly mask model weights during training so that the information of our embedded watermarks spreads in the network. By doing so, model fine-tuning/pruning would not forget our function-coupled watermarks. Evaluation results on various image classification tasks show a 100\% watermark authentication success rate under aggressive watermark removal attacks, significantly outperforming existing solutions. Code is available: https://github.com/cure-lab/Function-Coupled-Watermark.  ( 2 min )

Much of what we remember is not due to intentional selection, but simply a by-product of perceiving. This raises a foundational question about the architecture of the mind: How does perception interface with and influence memory? Here, inspired by a classic proposal relating perceptual processing to memory durability, the level-of-processing theory, we present a sparse coding model for compressing feature embeddings of images, and show that the reconstruction residuals from this model predict how well images are encoded into memory. In an open memorability dataset of scene images, we show that reconstruction error not only explains memory accuracy but also response latencies during retrieval, subsuming, in the latter case, all of the variance explained by powerful vision-only models. We also confirm a prediction of this account with 'model-driven psychophysics'. This work establishes reconstruction error as a novel signal interfacing perception and memory, possibly through adaptive modulation of perceptual processing.  ( 2 min )

Adaptive learning is necessary for non-stationary environments where the learning machine needs to forget past data distribution. Efficient algorithms require a compact model update to not grow in computational burden with the incoming data and with the lowest possible computational cost for online parameter updating. Existing solutions only partially cover these needs. Here, we propose the first adaptive sparse Gaussian Process (GP) able to address all these issues. We first reformulate a variational sparse GP algorithm to make it adaptive through a forgetting factor. Next, to make the model inference as simple as possible, we propose updating a single inducing point of the sparse GP model together with the remaining model parameters every time a new sample arrives. As a result, the algorithm presents a fast convergence of the inference process, which allows an efficient model update (with a single inference iteration) even in highly non-stationary environments. Experimental results demonstrate the capabilities of the proposed algorithm and its good performance in modeling the predictive posterior in mean and confidence interval estimation compared to state-of-the-art approaches.  ( 2 min )

The current approach to ML model design is either to choose a flexible Blackbox model and explain it post hoc or to start with an interpretable model. Blackbox models are flexible but difficult to explain, whereas interpretable models are designed to be explainable. However, developing interpretable models necessitates extensive ML knowledge, and the resulting models tend to be less flexible, offering potentially subpar performance compared to their Blackbox equivalents. This paper aims to blur the distinction between a post hoc explanation of a BlackBox and constructing interpretable models. We propose beginning with a flexible BlackBox model and gradually \emph{carving out} a mixture of interpretable models and a \emph{residual network}. Our design identifies a subset of samples and \emph{routes} them through the interpretable models. The remaining samples are routed through a flexible residual network. We adopt First Order Logic (FOL) as the interpretable model's backbone, which provides basic reasoning on concepts retrieved from the BlackBox model. On the residual network, we repeat the method until the proportion of data explained by the residual network falls below a desired threshold. Our approach offers several advantages. First, the mixture of interpretable and flexible residual networks results in almost no compromise in performance. Second, the route, interpret, and repeat approach yields a highly flexible interpretable model. Our extensive experiment demonstrates the performance of the model on various datasets. We show that by editing the FOL model, we can fix the shortcut learned by the original BlackBox model. Finally, our method provides a framework for a hybrid symbolic-connectionist network that is simple to train and adaptable to many applications.  ( 2 min )

An automated approach to identifying offenders in Sri Lanka would be better than the current system. Obtaining information from eyewitnesses is one of the less reliable approaches and procedures still in use today. Automated criminal identification has the ability to save lives, notwithstanding Sri Lankan culture's lack of awareness of the issue. Using cutting-edge technology like biometrics to finish this task would be the most accurate strategy. The most notable outcomes will be obtained by applying fingerprint and face recognition as biometric techniques. The main responsibilities will be image optimization and criminality. CCTV footage may be used to identify a person's fingerprint, identify a person's face, and identify crimes involving weapons. Additionally, we unveil a notification system and condense the police report to Additionally, to make it simpler for police officers to understand the essential points of the crime, we develop a notification system and condense the police report. Additionally, if an incident involving a weapon is detected, an automated notice of the crime with all the relevant facts is sent to the closest police station. The summarization of the police report is what makes this the most original. In order to improve the efficacy of the overall image, the system will quickly and precisely identify the full crime scene, identify, and recognize the suspects using their faces and fingerprints, and detect firearms. This study provides a novel approach for crime prediction based on real-world data, and criminality incorporation. A crime or occurrence should be reported to the appropriate agencies, and the suggested web application should be improved further to offer a workable channel of communication.  ( 3 min )

The Hadamard Layer, a simple and computationally efficient way to improve results in semantic segmentation tasks, is presented. This layer has no free parameters that require to be trained. Therefore it does not increase the number of model parameters, and the extra computational cost is marginal. Experimental results show that the new Hadamard layer substantially improves the performance of the investigated models (variants of the Pix2Pix model). The performance's improvement can be explained by the Hadamard layer forcing the network to produce an internal encoding of the classes so that all bins are active. Therefore, the network computation is more distributed. In a sort that the Hadamard layer requires that to change the predicted class, it is necessary to modify $2^{k-1}$ bins, assuming $k$ bins in the encoding. A specific loss function allows a stable and fast training convergence.  ( 2 min )

Oceanographers are interested in predicting ocean currents and identifying divergences in a current vector field based on sparse observations of buoy velocities. Since we expect current dynamics to be smooth but highly non-linear, Gaussian processes (GPs) offer an attractive model. But we show that applying a GP with a standard stationary kernel directly to buoy data can struggle at both current prediction and divergence identification -- due to some physically unrealistic prior assumptions. To better reflect known physical properties of currents, we propose to instead put a standard stationary kernel on the divergence and curl-free components of a vector field obtained through a Helmholtz decomposition. We show that, because this decomposition relates to the original vector field just via mixed partial derivatives, we can still perform inference given the original data with only a small constant multiple of additional computational expense. We illustrate the benefits of our method on synthetic and real ocean data.  ( 2 min )

Theoretically, the conditional expectation of a square-integrable random variable $Y$ given a $d$-dimensional random vector $X$ can be obtained by minimizing the mean squared distance between $Y$ and $f(X)$ over all Borel measurable functions $f \colon \mathbb{R}^d \to \mathbb{R}$. However, in many applications this minimization problem cannot be solved exactly, and instead, a numerical method which computes an approximate minimum over a suitable subfamily of Borel functions has to be used. The quality of the result depends on the adequacy of the subfamily and the performance of the numerical method. In this paper, we derive an expected value representation of the minimal mean squared distance which in many applications can efficiently be approximated with a standard Monte Carlo average. This enables us to provide guarantees for the accuracy of any numerical approximation of a given conditional expectation. We illustrate the method by assessing the quality of approximate conditional expectations obtained by linear, polynomial and neural network regression in different concrete examples.

Real-time, accurate prediction of human steering behaviors has wide applications, from developing intelligent traffic systems to deploying autonomous driving systems in both real and simulated worlds. In this paper, we present ContextVAE, a context-aware approach for multi-modal vehicle trajectory prediction. Built upon the backbone architecture of a timewise variational autoencoder, ContextVAE employs a dual attention mechanism for observation encoding that accounts for the environmental context information and the dynamic agents' states in a unified way. By utilizing features extracted from semantic maps during agent state encoding, our approach takes into account both the social features exhibited by agents on the scene and the physical environment constraints to generate map-compliant and socially-aware trajectories. We perform extensive testing on the nuScenes prediction challenge, Lyft Level 5 dataset and Waymo Open Motion Dataset to show the effectiveness of our approach and its state-of-the-art performance. In all tested datasets, ContextVAE models are fast to train and provide high-quality multi-modal predictions in real-time.

Knowledge graphs (KGs) are a powerful approach for integrating heterogeneous data and making inferences in biology and many other domains, but a coherent solution for constructing, exchanging, and facilitating the downstream use of knowledge graphs is lacking. Here we present KG-Hub, a platform that enables standardized construction, exchange, and reuse of knowledge graphs. Features include a simple, modular extract-transform-load (ETL) pattern for producing graphs compliant with Biolink Model (a high-level data model for standardizing biological data), easy integration of any OBO (Open Biological and Biomedical Ontologies) ontology, cached downloads of upstream data sources, versioned and automatically updated builds with stable URLs, web-browsable storage of KG artifacts on cloud infrastructure, and easy reuse of transformed subgraphs across projects. Current KG-Hub projects span use cases including COVID-19 research, drug repurposing, microbial-environmental interactions, and rare disease research. KG-Hub is equipped with tooling to easily analyze and manipulate knowledge graphs. KG-Hub is also tightly integrated with graph machine learning (ML) tools which allow automated graph machine learning, including node embeddings and training of models for link prediction and node classification.

We propose a new Tipping Point Generative Adversarial Network (TIP-GAN) for better characterizing potential climate tipping points in Earth system models. We describe an adversarial game to explore the parameter space of these models, detect upcoming tipping points, and discover the drivers of tipping points. In this setup, a set of generators learn to construct model configurations that will invoke a climate tipping point. The discriminator learns to identify which generators are generating each model configuration and whether a given configuration will lead to a tipping point. The discriminator is trained using an oracle (a surrogate climate model) to test if a generated model configuration leads to a tipping point or not. We demonstrate the application of this GAN to invoke the collapse of the Atlantic Meridional Overturning Circulation (AMOC). We share experimental results of modifying the loss functions and the number of generators to exploit the area of uncertainty in model state space near a climate tipping point. In addition, we show that our trained discriminator can predict AMOC collapse with a high degree of accuracy without the use of the oracle. This approach could generalize to other tipping points, and could augment climate modeling research by directing users interested in studying tipping points to parameter sets likely to induce said tipping points in their computationally intensive climate models.

Using machine learning algorithms for the rapid diagnosis and detection of the COVID-19 pandemic and isolating the patients from crowded environments are very important to controlling the epidemic. This study aims to develop a point-of-care testing (POCT) system that can detect COVID-19 by detecting volatile organic compounds (VOCs) in a patient's exhaled breath using the Gradient Boosted Trees Learner Algorithm. 294 breath samples were collected from 142 patients at Istanbul Medipol Mega Hospital between December 2020 and March 2021. 84 cases out of 142 resulted in negatives, and 58 cases resulted in positives. All these breath samples have been converted into numeric values through five air sensors. 10% of the data have been used for the validation of the model, while 75% of the test data have been used for training an AI model to predict the coronavirus presence. 25% have been used for testing. The SMOTE oversampling method was used to increase the training set size and reduce the imbalance of negative and positive classes in training and test data. Different machine learning algorithms have also been tried to develop the e-nose model. The test results have suggested that the Gradient Boosting algorithm created the best model. The Gradient Boosting model provides 95% recall when predicting COVID-19 positive patients and 96% accuracy when predicting COVID-19 negative patients.

The integration of the global Photovoltaic (PV) market with real time data-loggers has enabled large scale PV data analytical pipelines for power forecasting and long-term reliability assessment of PV fleets. Nevertheless, the performance of PV data analysis heavily depends on the quality of PV timeseries data. This paper proposes a novel Spatio-Temporal Denoising Graph Autoencoder (STD-GAE) framework to impute missing PV Power Data. STD-GAE exploits temporal correlation, spatial coherence, and value dependencies from domain knowledge to recover missing data. Experimental results show that STD-GAE can achieve a gain of 43.14% in imputation accuracy and remains less sensitive to missing rate, different seasons, and missing scenarios, compared with state-of-the-art data imputation methods such as MIDA and LRTC-TNN.

Noise injection-based method has been shown to be able to improve the robustness of artificial neural networks in previous work. In this work, we propose a novel noise injection-based training scheme for better model robustness. Specifically, we first develop a likelihood ratio method to estimate the gradient with respect to both synaptic weights and noise levels for stochastic gradient descent training. Then, we design an approximation for the vanilla noise injection-based training method to reduce memory and improve computational efficiency. Next, we apply our proposed scheme to spiking neural networks and evaluate the performance of classification accuracy and robustness on MNIST and Fashion-MNIST datasets. Experiment results show that our proposed method achieves a much better performance on adversarial robustness and slightly better performance on original accuracy, compared with the conventional gradient-based training method.

Recent years have seen growing interest among both researchers and practitioners in user-engaged approaches to algorithm auditing, which directly engage users in detecting problematic behaviors in algorithmic systems. However, we know little about industry practitioners' current practices and challenges around user-engaged auditing, nor what opportunities exist for them to better leverage such approaches in practice. To investigate, we conducted a series of interviews and iterative co-design activities with practitioners who employ user-engaged auditing approaches in their work. Our findings reveal several challenges practitioners face in appropriately recruiting and incentivizing user auditors, scaffolding user audits, and deriving actionable insights from user-engaged audit reports. Furthermore, practitioners shared organizational obstacles to user-engaged auditing, surfacing a complex relationship between practitioners and user auditors. Based on these findings, we discuss opportunities for future HCI research to help realize the potential (and the mitigate risks) of user-engaged auditing in industry practice.

In this work, we ask for and answer what makes classical temporal-difference reinforcement learning with epsilon-greedy strategies cooperative. Cooperating in social dilemma situations is vital for animals, humans, and machines. While evolutionary theory revealed a range of mechanisms promoting cooperation, the conditions under which agents learn to cooperate are contested. Here, we demonstrate which and how individual elements of the multi-agent learning setting lead to cooperation. We use the iterated Prisoner's dilemma with one-period memory as a testbed. Each of the two learning agents learns a strategy that conditions the following action choices on both agents' action choices of the last round. We find that next to a high caring for future rewards, a low exploration rate, and a small learning rate, it is primarily intrinsic stochastic fluctuations of the reinforcement learning process which double the final rate of cooperation to up to 80%. Thus, inherent noise is not a necessary evil of the iterative learning process. It is a critical asset for the learning of cooperation. However, we also point out the trade-off between a high likelihood of cooperative behavior and achieving this in a reasonable amount of time. Our findings are relevant for purposefully designing cooperative algorithms and regulating undesired collusive effects.

Lipschitz continuity is a simple yet pivotal functional property of any predictive model that lies at the core of its robustness, generalisation, and adversarial vulnerability. Our aim is to thoroughly investigate and characterise the Lipschitz behaviour of the functions learned via neural networks. Despite the significant tightening of the bounds in the recent years, precisely estimating the Lipschitz constant continues to be a practical challenge and tight theoretical analyses, similarly, remain intractable. Therefore, we shift our perspective and instead attempt to uncover insights about the nature of Lipschitz constant of neural networks functions -- by relying on the simplest and most general upper and lower bounds. We carry out an empirical investigation in a range of different settings (architectures, losses, optimisers, label noise, etc.), which reveals several fundamental and intriguing traits of the Lipschitz continuity of neural networks functions, In particular, we identify a remarkable double descent trend in both upper and lower bounds to the Lipschitz constant which tightly aligns with the typical double descent trend in the test loss.

Labeling is the cornerstone of supervised machine learning, which has been exploited in a plethora of various applications, with sign language recognition being one of them. However, such algorithms must be fed with a huge amount of consistently labeled data during the training process to elaborate a well-generalizing model. In addition, there is a great need for an automated solution that works with any nationally diversified sign language. Although there are language-agnostic transcription systems, such as the Hamburg Sign Language Notation System (HamNoSys) that describe the signer's initial position and body movement instead of the glosses' meanings, there are still issues with providing accurate and reliable labels for every real-world use case. In this context, the industry relies heavily on manual attribution and labeling of the available video data. In this work, we tackle this issue and thoroughly analyze the HamNoSys labels provided by various maintainers of open sign language corpora in five sign languages, in order to examine the challenges encountered in labeling video data. We also investigate the consistency and objectivity of HamNoSys-based labels for the purpose of training machine learning models. Our findings provide valuable insights into the limitations of the current labeling methods and pave the way for future research on developing more accurate and efficient solutions for sign language recognition.  ( 2 min )

We study repeated bilateral trade where an adaptive $\sigma$-smooth adversary generates the valuations of sellers and buyers. We provide a complete characterization of the regret regimes for fixed-price mechanisms under different feedback models in the two cases where the learner can post either the same or different prices to buyers and sellers. We begin by showing that the minimax regret after $T$ rounds is of order $\sqrt{T}$ in the full-feedback scenario. Under partial feedback, any algorithm that has to post the same price to buyers and sellers suffers worst-case linear regret. However, when the learner can post two different prices at each round, we design an algorithm enjoying regret of order $T^{3/4}$ ignoring log factors. We prove that this rate is optimal by presenting a surprising $T^{3/4}$ lower bound, which is the main technical contribution of the paper.  ( 2 min )

To score goals in football, a team needs to move forward on the pitch and there are various ways to do so. Depending on the game plan & philosophy; some teams prefer to play long balls from either wings or defense. Others, prefer to penetrate in depth with passes and outplay the opponent players. To objectively & in an automated way evaluate how teams play penetrative passes compared to the number of times they had the potential to do so, the "Potential Penetrative Pass (P3)" concept is presented here.  ( 2 min )

In the last decades, due to the huge technological growth observed, it has become increasingly common that a collection of temporal data rapidly accumulates in vast amounts. This provides an opportunity for extracting valuable information through the estimation of increasingly precise models. But at the same time it imposes the challenge of continuously updating the models as new data become available. Currently available methods for addressing this problem, the so-called online learning methods, use current parameter estimations and novel data to update the estimators. These approaches avoid using the full raw data and speeding up the computations. In this work we consider three online learning algorithms for parameters estimation in the context of time series models. In particular, the methods implemented are: gradient descent, Newton-step and Kalman filter recursions. These algorithms are applied to the recently developed irregularly observed autoregressive (iAR) model. The estimation accuracy of the proposed methods is assessed by means of Monte Carlo experiments. The results obtained show that the proposed online estimation methods allow for a precise estimation of the parameters that generate the data both for the regularly and irregularly observed time series. These online approaches are numerically efficient, allowing substantial computational time savings. Moreover, we show that the proposed methods are able to adapt the parameter estimates quickly when the time series behavior changes, unlike batch estimation methods.  ( 2 min )

Reservoir computing is a machine learning paradigm that uses a structure called a reservoir, which has nonlinearities and short-term memory. In recent years, reservoir computing has expanded to new functions such as the autonomous generation of chaotic time series, as well as time series prediction and classification. Furthermore, novel possibilities have been demonstrated, such as inferring the existence of previously unseen attractors. Sampling, in contrast, has a strong influence on such functions. Sampling is indispensable in a physical reservoir computer that uses an existing physical system as a reservoir because the use of an external digital system for the data input is usually inevitable. This study analyzes the effect of sampling on the ability of reservoir computing to autonomously regenerate chaotic time series. We found, as expected, that excessively coarse sampling degrades the system performance, but also that excessively dense sampling is unsuitable. Based on quantitative indicators that capture the local and global characteristics of attractors, we identify a suitable window of the sampling frequency and discuss its underlying mechanisms.  ( 2 min )

Due to the extensive growth of information available online, recommender systems play a more significant role in serving people's interests. Traditional recommender systems mostly use an accuracy-focused approach to produce recommendations. Today's research suggests that this single-dimension approach can lead the system to be biased against a series of items with certain attributes. Biased recommendations across groups of items can endanger the interests of item providers along with causing user dissatisfaction with the system. This study aims to manage a new type of intersectional bias regarding the geographical origin and popularity of items in the output of state-of-the-art collaborative filtering recommender algorithms. We introduce an algorithm called MFAIR, a multi-facet post-processing bias mitigation algorithm to alleviate these biases. Extensive experiments on two real-world datasets of movies and books, enriched with the items' continents of production, show that the proposed algorithm strikes a reasonable balance between accuracy and both types of the mentioned biases. According to the results, our proposed approach outperforms a well-known competitor with no or only a slight loss of efficiency.  ( 2 min )

In this paper, we propose and analyze a new method for online linear quadratic regulator (LQR) control with a priori unknown time-varying cost matrices. The cost matrices are revealed sequentially with the potential for future values to be previewed over a short window. Our novel method involves using the available cost matrices to predict the optimal trajectory, and a tracking controller to drive the system towards it. We adopted the notion of dynamic regret to measure the performance of this proposed online LQR control method, with our main result being that the (dynamic) regret of our method is upper bounded by a constant. Moreover, the regret upper bound decays exponentially with the preview window length, and is extendable to systems with disturbances. We show in simulations that our proposed method offers improved performance compared to other previously proposed online LQR methods.  ( 2 min )

On Euclidean spaces, the Gaussian kernel is one of the most widely used kernels in applications. It has also been used on non-Euclidean spaces, where it is known that there may be (and often are) scale parameters for which it is not positive definite. Hope remains that this kernel is positive definite for many choices of parameter. However, we show that the Gaussian kernel is not positive definite on the circle for any choice of parameter. This implies that on metric spaces in which the circle can be isometrically embedded, such as spheres, projective spaces and Grassmannians, the Gaussian kernel is not positive definite for any parameter.  ( 2 min )

In Changjun Fan et al. [Nature Communications https://doi.org/10.1038/s41467-023-36363-w (2023)], the authors present a deep reinforced learning approach to augment combinatorial optimization heuristics. In particular, they present results for several spin glass ground state problems, for which instances on non-planar networks are generally NP-hard, in comparison with several Monte Carlo based methods, such as simulated annealing (SA) or parallel tempering (PT). Indeed, those results demonstrate that the reinforced learning improves the results over those obtained with SA or PT, or at least allows for reduced runtimes for the heuristics before results of comparable quality have been obtained relative to those other methods. To facilitate the conclusion that their method is ''superior'', the authors pursue two basic strategies: (1) A commercial GUROBI solver is called on to procure a sample of exact ground states as a testbed to compare with, and (2) a head-to-head comparison between the heuristics is given for a sample of larger instances where exact ground states are hard to ascertain. Here, we put these studies into a larger context, showing that the claimed superiority is at best marginal for smaller samples and becomes essentially irrelevant with respect to any sensible approximation of true ground states in the larger samples. For example, this method becomes irrelevant as a means to determine stiffness exponents $\theta$ in $d>2$, as mentioned by the authors, where the problem is not only NP-hard but requires the subtraction of two almost equal ground-state energies and systemic errors in each of $\approx 1\%$ found here are unacceptable. This larger picture on the method arises from a straightforward finite-size corrections study over the spin glass ensembles the authors employ, using data that has been available for decades.  ( 3 min )

Finding classifiers robust to adversarial examples is critical for their safe deployment. Determining the robustness of the best possible classifier under a given threat model for a given data distribution and comparing it to that achieved by state-of-the-art training methods is thus an important diagnostic tool. In this paper, we find achievable information-theoretic lower bounds on loss in the presence of a test-time attacker for multi-class classifiers on any discrete dataset. We provide a general framework for finding the optimal 0-1 loss that revolves around the construction of a conflict hypergraph from the data and adversarial constraints. We further define other variants of the attacker-classifier game that determine the range of the optimal loss more efficiently than the full-fledged hypergraph construction. Our evaluation shows, for the first time, an analysis of the gap to optimal robustness for classifiers in the multi-class setting on benchmark datasets.  ( 2 min )

Knowledge distillation is a popular and effective regularization technique for training lightweight models, but it also adds significant overhead to the training cost. The drawback is most pronounced when we use large-scale models as our teachers, such as vision transformers (ViTs). We present MaskedKD, a simple yet effective method for reducing the training cost of ViT distillation. MaskedKD masks a fraction of image patch tokens fed to the teacher to save the teacher inference cost. The tokens to mask are determined based on the last layer attention score of the student model, to which we provide the full image. Without requiring any architectural change of the teacher or making sacrifices in the student performance, MaskedKD dramatically reduces the computations and time required for distilling ViTs. We demonstrate that MaskedKD can save up to $50\%$ of the cost of running inference on the teacher model without any performance drop on the student, leading to approximately $28\%$ drop in the teacher and student compute combined.  ( 2 min )

Gradient boosting machines (GBMs) based on decision trees consistently demonstrate state-of-the-art results on regression and classification tasks with tabular data, often outperforming deep neural networks. However, these models do not provide well-calibrated predictive uncertainties, which prevents their use for decision making in high-risk applications. The Bayesian treatment is known to improve predictive uncertainty calibration, but previously proposed Bayesian GBM methods are either computationally expensive, or resort to crude approximations. Variational inference is often used to implement Bayesian neural networks, but is difficult to apply to GBMs, because the decision trees used as weak learners are non-differentiable. In this paper, we propose to implement Bayesian GBMs using variational inference with soft decision trees, a fully differentiable alternative to standard decision trees introduced by Irsoy et al. Our experiments demonstrate that variational soft trees and variational soft GBMs provide useful uncertainty estimates, while retaining good predictive performance. The proposed models show higher test likelihoods when compared to the state-of-the-art Bayesian GBMs in 7/10 tabular regression datasets and improved out-of-distribution detection in 5/10 datasets.  ( 2 min )

ML models are known to be vulnerable to adversarial query attacks. In these attacks, queries are iteratively perturbed towards a particular class without any knowledge of the target model besides its output. The prevalence of remotely-hosted ML classification models and Machine-Learning-as-a-Service platforms means that query attacks pose a real threat to the security of these systems. To deal with this, stateful defenses have been proposed to detect query attacks and prevent the generation of adversarial examples by monitoring and analyzing the sequence of queries received by the system. Several stateful defenses have been proposed in recent years. However, these defenses rely solely on similarity or out-of-distribution detection methods that may be effective in other domains. In the malware detection domain, the methods to generate adversarial examples are inherently different, and therefore we find that such detection mechanisms are significantly less effective. Hence, in this paper, we present MalProtect, which is a stateful defense against query attacks in the malware detection domain. MalProtect uses several threat indicators to detect attacks. Our results show that it reduces the evasion rate of adversarial query attacks by 80+\% in Android and Windows malware, across a range of attacker scenarios. In the first evaluation of its kind, we show that MalProtect outperforms prior stateful defenses, especially under the peak adversarial threat.  ( 2 min )

The demand for a huge amount of data for machine learning (ML) applications is currently a bottleneck in an empirically dominated field. We propose a method to combine prior knowledge with data-driven methods to significantly reduce their data dependency. In this study, component-based machine learning (CBML) as the knowledge-encoded data-driven method is examined in the context of energy-efficient building engineering. It encodes the abstraction of building structural knowledge as semantic information in the model organization. We design a case experiment to understand the efficacy of knowledge-encoded ML in sparse data input (1% - 0.0125% sampling rate). The result reveals its three advanced features compared with pure ML methods: 1. Significant improvement in the robustness of ML to extremely small-size and inconsistent datasets; 2. Efficient data utilization from different entities' record collections; 3. Characteristics of accepting incomplete data with high interpretability and reduced training time. All these features provide a promising path to alleviating the deployment bottleneck of data-intensive methods and contribute to efficient real-world data usage. Moreover, four necessary prerequisites are summarized in this study that ensures the target scenario benefits by combining prior knowledge and ML generalization.  ( 2 min )

Although federated learning has achieved many breakthroughs recently, the heterogeneous nature of the learning environment greatly limits its performance and hinders its real-world applications. The heterogeneous data, time-varying wireless conditions and computing-limited devices are three main challenges, which often result in an unstable training process and degraded accuracy. Herein, we propose strategies to address these challenges. Targeting the heterogeneous data distribution, we propose a novel adaptive mixing aggregation (AMA) scheme that mixes the model updates from previous rounds with current rounds to avoid large model shifts and thus, maintain training stability. We further propose a novel staleness-based weighting scheme for the asynchronous model updates caused by the dynamic wireless environment. Lastly, we propose a novel CPU-friendly computation-reduction scheme based on transfer learning by sharing the feature extractor (FES) and letting the computing-limited devices update only the classifier. The simulation results show that the proposed framework outperforms existing state-of-the-art solutions and increases the test accuracy, and training stability by up to 2.38%, 93.10% respectively. Additionally, the proposed framework can tolerate communication delay of up to 15 rounds under a moderate delay environment without significant accuracy degradation.  ( 2 min )

Recently, Sharpness-Aware Minimization (SAM) has shown state-of-the-art performance by seeking flat minima. To minimize the maximum loss within a neighborhood in the parameter space, SAM uses an ascent step, which perturbs the weights along the direction of gradient ascent with a given radius. While single-step or multi-step can be taken during ascent steps, previous studies have shown that multi-step ascent SAM rarely improves generalization performance. However, this phenomenon is particularly interesting because the multi-step ascent is expected to provide a better approximation of the maximum neighborhood loss. Therefore, in this paper, we analyze the effect of the number of ascent steps and investigate the difference between both single-step ascent SAM and multi-step ascent SAM. We identify the effect of the number of ascent on SAM optimization and reveal that single-step ascent SAM and multi-step ascent SAM exhibit distinct loss landscapes. Based on these observations, we finally suggest a simple modification that can mitigate the inefficiency of multi-step ascent SAM.  ( 2 min )

The integration of Time-of-Flight (TOF) information in the reconstruction process of Positron Emission Tomography (PET) yields improved image properties. However, implementing the cutting-edge model-based deep learning methods for TOF-PET reconstruction is challenging due to the substantial memory requirements. In this study, we present a novel model-based deep learning approach, LMPDNet, for TOF-PET reconstruction from list-mode data. We address the issue of real-time parallel computation of the projection matrix for list-mode data, and propose an iterative model-based module that utilizes a dedicated network model for list-mode data. Our experimental results indicate that the proposed LMPDNet outperforms traditional iteration-based TOF-PET list-mode reconstruction algorithms. Additionally, we compare the spatial and temporal consumption of list-mode data and sinogram data in model-based deep learning methods, demonstrating the superiority of list-mode data in model-based TOF-PET reconstruction.  ( 2 min )

Weather forecasting is one of the cornerstones of meteorological work. In this paper, we present a new benchmark dataset named Weather2K, which aims to make up for the deficiencies of existing weather forecasting datasets in terms of real-time, reliability, and diversity, as well as the key bottleneck of data quality. To be specific, our Weather2K is featured from the following aspects: 1) Reliable and real-time data. The data is hourly collected from 2,130 ground weather stations covering an area of 6 million square kilometers. 2) Multivariate meteorological variables. 20 meteorological factors and 3 constants for position information are provided with a length of 40,896 time steps. 3) Applicable to diverse tasks. We conduct a set of baseline tests on time series forecasting and spatio-temporal forecasting. To the best of our knowledge, our Weather2K is the first attempt to tackle weather forecasting task by taking full advantage of the strengths of observation data from ground weather stations. Based on Weather2K, we further propose Meteorological Factors based Multi-Graph Convolution Network (MFMGCN), which can effectively construct the intrinsic correlation among geographic locations based on meteorological factors. Sufficient experiments show that MFMGCN improves both the forecasting performance and temporal robustness. We hope our Weather2K can significantly motivate researchers to develop efficient and accurate algorithms to advance the task of weather forecasting. The dataset can be available at https://github.com/bycnfz/weather2k/.  ( 2 min )

In this paper, we design replicable algorithms in the context of statistical clustering under the recently introduced notion of replicability. A clustering algorithm is replicable if, with high probability, it outputs the exact same clusters after two executions with datasets drawn from the same distribution when its internal randomness is shared across the executions. We propose such algorithms for the statistical $k$-medians, statistical $k$-means, and statistical $k$-centers problems by utilizing approximation routines for their combinatorial counterparts in a black-box manner. In particular, we demonstrate a replicable $O(1)$-approximation algorithm for statistical Euclidean $k$-medians ($k$-means) with $\operatorname{poly}(d)$ sample complexity. We also describe a $O(1)$-approximation algorithm with an additional $O(1)$-additive error for statistical Euclidean $k$-centers, albeit with $\exp(d)$ sample complexity.  ( 2 min )

Skip connections and normalisation layers form two standard architectural components that are ubiquitous for the training of Deep Neural Networks (DNNs), but whose precise roles are poorly understood. Recent approaches such as Deep Kernel Shaping have made progress towards reducing our reliance on them, using insights from wide NN kernel theory to improve signal propagation in vanilla DNNs (which we define as networks without skips or normalisation). However, these approaches are incompatible with the self-attention layers present in transformers, whose kernels are intrinsically more complicated to analyse and control. And so the question remains: is it possible to train deep vanilla transformers? We answer this question in the affirmative by designing several approaches that use combinations of parameter initialisations, bias matrices and location-dependent rescaling to achieve faithful signal propagation in vanilla transformers. Our methods address various intricacies specific to signal propagation in transformers, including the interaction with positional encoding and causal masking. In experiments on WikiText-103 and C4, our approaches enable deep transformers without normalisation to train at speeds matching their standard counterparts, and deep vanilla transformers to reach the same performance as standard ones after about 5 times more iterations.  ( 2 min )

Text-based games are a popular testbed for language-based reinforcement learning (RL). In previous work, deep Q-learning is commonly used as the learning agent. Q-learning algorithms are challenging to apply to complex real-world domains due to, for example, their instability in training. Therefore, in this paper, we adapt the soft-actor-critic (SAC) algorithm to the text-based environment. To deal with sparse extrinsic rewards from the environment, we combine it with a potential-based reward shaping technique to provide more informative (dense) reward signals to the RL agent. We apply our method to play difficult text-based games. The SAC method achieves higher scores than the Q-learning methods on many games with only half the number of training steps. This shows that it is well-suited for text-based games. Moreover, we show that the reward shaping technique helps the agent to learn the policy faster and achieve higher scores. In particular, we consider a dynamically learned value function as a potential function for shaping the learner's original sparse reward signals.  ( 2 min )

Trajectory prediction is an important task to support safe and intelligent behaviours in autonomous systems. Many advanced approaches have been proposed over the years with improved spatial and temporal feature extraction. However, human behaviour is naturally multimodal and uncertain: given the past trajectory and surrounding environment information, an agent can have multiple plausible trajectories in the future. To tackle this problem, an essential task named multimodal trajectory prediction (MTP) has recently been studied, which aims to generate a diverse, acceptable and explainable distribution of future predictions for each agent. In this paper, we present the first survey for MTP with our unique taxonomies and comprehensive analysis of frameworks, datasets and evaluation metrics. In addition, we discuss multiple future directions that can help researchers develop novel multimodal trajectory prediction systems.  ( 2 min )

Deep learning models have demonstrated great potential in medical 3D imaging, but their development is limited by the expensive, large volume of annotated data required. Active learning (AL) addresses this by training a model on a subset of the most informative data samples without compromising performance. We compared different AL strategies and propose a framework that minimizes the amount of data needed for state-of-the-art performance. 638 multi-institutional brain tumor MRI images were used to train a 3D U-net model and compare AL strategies. We investigated uncertainty sampling, annotation redundancy restriction, and initial dataset selection techniques. Uncertainty estimation techniques including Bayesian estimation with dropout, bootstrapping, and margins sampling were compared to random query. Strategies to avoid annotation redundancy by removing similar images within the to-be-annotated subset were considered as well. We determined the minimum amount of data necessary to achieve similar performance to the model trained on the full dataset ({\alpha} = 0.1). A variance-based selection strategy using radiomics to identify the initial training dataset is also proposed. Bayesian approximation with dropout at training and testing showed similar results to that of the full data model with less than 20% of the training data (p=0.293) compared to random query achieving similar performance at 56.5% of the training data (p=0.814). Annotation redundancy restriction techniques achieved state-of-the-art performance at approximately 40%-50% of the training data. Radiomics dataset initialization had higher Dice with initial dataset sizes of 20 and 80 images, but improvements were not significant. In conclusion, we investigated various AL strategies with dropout uncertainty estimation achieving state-of-the-art performance with the least annotated data.  ( 3 min )

Differentiable particle filters are an emerging class of particle filtering methods that use neural networks to construct and learn parametric state-space models. In real-world applications, both the state dynamics and measurements can switch between a set of candidate models. For instance, in target tracking, vehicles can idle, move through traffic, or cruise on motorways, and measurements are collected in different geographical or weather conditions. This paper proposes a new differentiable particle filter for regime-switching state-space models. The method can learn a set of unknown candidate dynamic and measurement models and track the state posteriors. We evaluate the performance of the novel algorithm in relevant models, showing its great performance compared to other competitive algorithms.  ( 2 min )

The rapidly increasing size of deep-learning models has caused renewed and growing interest in alternatives to digital computers to dramatically reduce the energy cost of running state-of-the-art neural networks. Optical matrix-vector multipliers are best suited to performing computations with very large operands, which suggests that large Transformer models could be a good target for optical computing. To test this idea, we performed small-scale optical experiments with a prototype accelerator to demonstrate that Transformer operations can run on optical hardware despite noise and errors. Using simulations, validated by our experiments, we then explored the energy efficiency of optical implementations of Transformers and identified scaling laws for model performance with respect to optical energy usage. We found that the optical energy per multiply-accumulate (MAC) scales as $\frac{1}{d}$ where $d$ is the Transformer width, an asymptotic advantage over digital systems. We conclude that with well-engineered, large-scale optical hardware, it may be possible to achieve a $100 \times$ energy-efficiency advantage for running some of the largest current Transformer models, and that if both the models and the optical hardware are scaled to the quadrillion-parameter regime, optical computers could have a $>8,000\times$ energy-efficiency advantage over state-of-the-art digital-electronic processors that achieve 300 fJ/MAC. We analyzed how these results motivate and inform the construction of future optical accelerators along with optics-amenable deep-learning approaches. With assumptions about future improvements to electronics and Transformer quantization techniques (5$\times$ cheaper memory access, double the digital--analog conversion efficiency, and 4-bit precision), we estimated that optical computers' advantage against current 300-fJ/MAC digital processors could grow to $>100,000\times$.  ( 2 min )

Query categorization at customer-to-customer e-commerce plat- forms like Facebook Marketplace is challenging due to the vague- ness of search intent, noise in real-world data, and imbalanced training data across languages. Its deployment also needs to con- sider challenges in scalability and downstream integration in order to translate modeling advances into better search result relevance. In this paper we present HierCat, the query categorization system at Facebook Marketplace. HierCat addresses these challenges by leveraging multi-task pre-training of dual-encoder architectures with a hierarchical inference step to effectively learn from weakly supervised training data mined from searcher engagement. We show that HierCat not only outperforms popular methods in offline experiments, but also leads to 1.4% improvement in NDCG and 4.3% increase in searcher engagement at Facebook Marketplace Search in online A/B testing.  ( 2 min )

Recently, several studies (Zhou et al., 2021a; Zhang et al., 2021b; Kim et al., 2021; Zhou and Gu, 2022) have provided variance-dependent regret bounds for linear contextual bandits, which interpolates the regret for the worst-case regime and the deterministic reward regime. However, these algorithms are either computationally intractable or unable to handle unknown variance of the noise. In this paper, we present a novel solution to this open problem by proposing the first computationally efficient algorithm for linear bandits with heteroscedastic noise. Our algorithm is adaptive to the unknown variance of noise and achieves an $\tilde{O}(d \sqrt{\sum_{k = 1}^K \sigma_k^2} + d)$ regret, where $\sigma_k^2$ is the variance of the noise at the round $k$, $d$ is the dimension of the contexts and $K$ is the total number of rounds. Our results are based on an adaptive variance-aware confidence set enabled by a new Freedman-type concentration inequality for self-normalized martingales and a multi-layer structure to stratify the context vectors into different layers with different uniform upper bounds on the uncertainty. Furthermore, our approach can be extended to linear mixture Markov decision processes (MDPs) in reinforcement learning. We propose a variance-adaptive algorithm for linear mixture MDPs, which achieves a problem-dependent horizon-free regret bound that can gracefully reduce to a nearly constant regret for deterministic MDPs. Unlike existing nearly minimax optimal algorithms for linear mixture MDPs, our algorithm does not require explicit variance estimation of the transitional probabilities or the use of high-order moment estimators to attain horizon-free regret. We believe the techniques developed in this paper can have independent value for general online decision making problems.  ( 2 min )

When performing causal discovery, assumptions have to be made on how the true causal mechanism corresponds to the underlying joint probability distribution. These assumptions are labeled as causal razors in this work. We review numerous causal razors that appeared in the literature, and offer a comprehensive logical comparison of them. In particular, we scrutinize an unpopular causal razor, namely parameter minimality, in multinomial causal models and its logical relations with other well-studied causal razors. Our logical result poses a dilemma in selecting a reasonable scoring criterion for score-based casual search algorithms.  ( 2 min )

The development of current building energy system operation has benefited from: 1. Informational support from the optimal design through simulation or first-principles models; 2. System load and energy prediction through machine learning (ML). Through the literature review, we note that in current control strategies and optimization algorithms, most of them rely on receiving information from real-time feedback or using only predictive signals based on ML data fitting. They do not fully utilize dynamic building information. In other words, embedding dynamic prior knowledge from building system characteristics simultaneously for system control draws less attention. In this context, we propose an engineer-friendly control strategy framework. The framework is integrated with a feedforward loop that embedded a dynamic building environment with leading and lagging system information involved: The simulation combined with system characteristic information is imported to the ML predictive algorithms. ML generates step-ahead information by rolling-window feed-in of simulation output to minimize the errors of its forecasting predecessor in a loop and achieve an overall optimal. We tested it in a case for heating system control with typical control strategies, which shows our framework owns a further energy-saving potential of 15%.  ( 2 min )

We propose Meta-World Conditional Neural Processes (MW-CNP), a conditional world model generator that leverages sample efficiency and scalability of Conditional Neural Processes to enable an agent to sample from its own "hallucination". We intend to reduce the agent's interaction with the target environment at test time as much as possible. To reduce the number of samples required at test time, we first obtain a latent representation of the transition dynamics from a single rollout from the test environment with hidden parameters. Then, we obtain rollouts for few-shot learning by interacting with the "hallucination" generated by the meta-world model. Using the world model representation from MW-CNP, the meta-RL agent can adapt to an unseen target environment with significantly fewer samples collected from the target environment compared to the baselines. We emphasize that the agent does not have access to the task parameters throughout training and testing, and MW-CNP is trained on offline interaction data logged during meta-training.  ( 2 min )

Standard metrics of performance of classifiers, such as accuracy and sensitivity, do not reveal the trust or confidence in the predicted labels of data. While other metrics such as the computed probability of a label or the signed distance from a hyperplane can act as a trust measure, these are subjected to heuristic thresholds. This paper presents a convex optimization-based supervised classifier that sequentially partitions a dataset into several ellipsoids, where each ellipsoid contains nearly all points of the same label. By stating classification rules based on this partitioning, Bayes' formula is then applied to calculate a trust score to a label assigned to a test datapoint determined from these rules. The proposed Sequential Ellipsoidal Partitioning Classifier (SEP-C) exposes dataset irregularities, such as degree of overlap, without requiring a separate exploratory data analysis. The rules of classification, which are free of hyperparameters, are also not affected by class-imbalance, the underlying data distribution, or number of features. SEP-C does not require the use of non-linear kernels when the dataset is not linearly separable. The performance, and comparison with other methods, of SEP-C is demonstrated on the XOR-problem, circle dataset, and other open-source datasets.  ( 2 min )

In this work we propose deep learning-based algorithms for the computation of systemic shortfall risk measures defined via multivariate utility functions. We discuss the key related theoretical aspects, with a particular focus on the fairness properties of primal optima and associated risk allocations. The algorithms we provide allow for learning primal optimizers, optima for the dual representation and corresponding fair risk allocations. We test our algorithms by comparison to a benchmark model, based on a paired exponential utility function, for which we can provide explicit formulas. We also show evidence of convergence in a case for which explicit formulas are not available.  ( 2 min )

Tensor data are multi-dimension arrays. Low-rank decomposition-based regression methods with tensor predictors exploit the structural information in tensor predictors while significantly reducing the number of parameters in tensor regression. We propose a method named NA$_0$CT$^2$ (Noise Augmentation for $\ell_0$ regularization on Core Tensor in Tucker decomposition) to regularize the parameters in tensor regression (TR), coupled with Tucker decomposition. We establish theoretically that NA$_0$CT$^2$ achieves exact $\ell_0$ regularization in linear TR and generalized linear TR on the core tensor from the Tucker decomposition. To our knowledge, NA$_0$CT$^2$ is the first Tucker decomposition-based regularization method in TR to achieve $\ell_0$ in core tensor. NA$_0$CT$^2$ is implemented through an iterative procedure and involves two simple steps in each iteration -- generating noisy data based on the core tensor from the Tucker decomposition of the updated parameter estimate and running a regular GLM on noise-augmented data on vectorized predictors. We demonstrate the implementation of NA$_0$CT$^2$ and its $\ell_0$ regularization effect in both simulation studies and real data applications. The results suggest that NA$_0$CT$^2$ improves predictions compared to other decomposition-based TR approaches, with or without regularization and it also helps to identify important predictors though not designed for that purpose.  ( 2 min )

Recently, several studies (Zhou et al., 2021a; Zhang et al., 2021b; Kim et al., 2021; Zhou and Gu, 2022) have provided variance-dependent regret bounds for linear contextual bandits, which interpolates the regret for the worst-case regime and the deterministic reward regime. However, these algorithms are either computationally intractable or unable to handle unknown variance of the noise. In this paper, we present a novel solution to this open problem by proposing the first computationally efficient algorithm for linear bandits with heteroscedastic noise. Our algorithm is adaptive to the unknown variance of noise and achieves an $\tilde{O}(d \sqrt{\sum_{k = 1}^K \sigma_k^2} + d)$ regret, where $\sigma_k^2$ is the variance of the noise at the round $k$, $d$ is the dimension of the contexts and $K$ is the total number of rounds. Our results are based on an adaptive variance-aware confidence set enabled by a new Freedman-type concentration inequality for self-normalized martingales and a multi-layer structure to stratify the context vectors into different layers with different uniform upper bounds on the uncertainty. Furthermore, our approach can be extended to linear mixture Markov decision processes (MDPs) in reinforcement learning. We propose a variance-adaptive algorithm for linear mixture MDPs, which achieves a problem-dependent horizon-free regret bound that can gracefully reduce to a nearly constant regret for deterministic MDPs. Unlike existing nearly minimax optimal algorithms for linear mixture MDPs, our algorithm does not require explicit variance estimation of the transitional probabilities or the use of high-order moment estimators to attain horizon-free regret. We believe the techniques developed in this paper can have independent value for general online decision making problems.  ( 2 min )

In this paper, we revisit the regret of undiscounted reinforcement learning in MDPs with a birth and death structure. Specifically, we consider a controlled queue with impatient jobs and the main objective is to optimize a trade-off between energy consumption and user-perceived performance. Within this setting, the \emph{diameter} $D$ of the MDP is $\Omega(S^S)$, where $S$ is the number of states. Therefore, the existing lower and upper bounds on the regret at time$T$, of order $O(\sqrt{DSAT})$ for MDPs with $S$ states and $A$ actions, may suggest that reinforcement learning is inefficient here. In our main result however, we exploit the structure of our MDPs to show that the regret of a slightly-tweaked version of the classical learning algorithm {\sc Ucrl2} is in fact upper bounded by $\tilde{\mathcal{O}}(\sqrt{E_2AT})$ where $E_2$ is related to the weighted second moment of the stationary measure of a reference policy. Importantly, $E_2$ is bounded independently of $S$. Thus, our bound is asymptotically independent of the number of states and of the diameter. This result is based on a careful study of the number of visits performed by the learning algorithm to the states of the MDP, which is highly non-uniform.  ( 2 min )

Density Ratio Estimation (DRE) is an important machine learning technique with many downstream applications. We consider the challenge of DRE with missing not at random (MNAR) data. In this setting, we show that using standard DRE methods leads to biased results while our proposal (M-KLIEP), an adaptation of the popular DRE procedure KLIEP, restores consistency. Moreover, we provide finite sample estimation error bounds for M-KLIEP, which demonstrate minimax optimality with respect to both sample size and worst-case missingness. We then adapt an important downstream application of DRE, Neyman-Pearson (NP) classification, to this MNAR setting. Our procedure both controls Type I error and achieves high power, with high probability. Finally, we demonstrate promising empirical performance both synthetic data and real-world data with simulated missingness.

Interest in understanding and factorizing learned embedding spaces through conceptual explanations is steadily growing. When no human concept labels are available, concept discovery methods search trained embedding spaces for interpretable concepts like object shape or color that can be used to provide post-hoc explanations for decisions. Unlike previous work, we argue that concept discovery should be identifiable, meaning that a number of known concepts can be provably recovered to guarantee reliability of the explanations. As a starting point, we explicitly make the connection between concept discovery and classical methods like Principal Component Analysis and Independent Component Analysis by showing that they can recover independent concepts with non-Gaussian distributions. For dependent concepts, we propose two novel approaches that exploit functional compositionality properties of image-generating processes. Our provably identifiable concept discovery methods substantially outperform competitors on a battery of experiments including hundreds of trained models and dependent concepts, where they exhibit up to 29 % better alignment with the ground truth. Our results provide a rigorous foundation for reliable concept discovery without human labels.

Bayesian model comparison (BMC) offers a principled probabilistic approach to study and rank competing models. In standard BMC, we construct a discrete probability distribution over the set of possible models, conditional on the observed data of interest. These posterior model probabilities (PMPs) are measures of uncertainty, but -- when derived from a finite number of observations -- are also uncertain themselves. In this paper, we conceptualize distinct levels of uncertainty which arise in BMC. We explore a fully probabilistic framework for quantifying meta-uncertainty, resulting in an applied method to enhance any BMC workflow. Drawing on both Bayesian and frequentist techniques, we represent the uncertainty over the uncertain PMPs via meta-models which combine simulated and observed data into a predictive distribution for PMPs on new data. We demonstrate the utility of the proposed method in the context of conjugate Bayesian regression, likelihood-based inference with Markov chain Monte Carlo, and simulation-based inference with neural networks.

Many datasets are underspecified: there exist multiple equally viable solutions to a given task. Underspecification can be problematic for methods that learn a single hypothesis because different functions that achieve low training loss can focus on different predictive features and thus produce widely varying predictions on out-of-distribution data. We propose DivDis, a simple two-stage framework that first learns a diverse collection of hypotheses for a task by leveraging unlabeled data from the test distribution. We then disambiguate by selecting one of the discovered hypotheses using minimal additional supervision, in the form of additional labels or inspection of function visualization. We demonstrate the ability of DivDis to find hypotheses that use robust features in image classification and natural language processing problems with underspecification.

Lipschitz continuity is a simple yet pivotal functional property of any predictive model that lies at the core of its robustness, generalisation, and adversarial vulnerability. Our aim is to thoroughly investigate and characterise the Lipschitz behaviour of the functions learned via neural networks. Despite the significant tightening of the bounds in the recent years, precisely estimating the Lipschitz constant continues to be a practical challenge and tight theoretical analyses, similarly, remain intractable. Therefore, we shift our perspective and instead attempt to uncover insights about the nature of Lipschitz constant of neural networks functions -- by relying on the simplest and most general upper and lower bounds. We carry out an empirical investigation in a range of different settings (architectures, losses, optimisers, label noise, etc.), which reveals several fundamental and intriguing traits of the Lipschitz continuity of neural networks functions, In particular, we identify a remarkable double descent trend in both upper and lower bounds to the Lipschitz constant which tightly aligns with the typical double descent trend in the test loss.

We consider the problem of stochastic convex optimization with exp-concave losses using Empirical Risk Minimization in a convex class. Answering a question raised in several prior works, we provide a $O( d / n + \log( 1 / \delta) / n )$ excess risk bound valid for a wide class of bounded exp-concave losses, where $d$ is the dimension of the convex reference set, $n$ is the sample size, and $\delta$ is the confidence level. Our result is based on a unified geometric assumption on the gradient of losses and the notion of local norms.

Deep networks are well-known to be fragile to adversarial attacks, and adversarial training is one of the most popular methods used to train a robust model. To take advantage of unlabeled data, recent works have applied adversarial training to contrastive learning (Adversarial Contrastive Learning; ACL for short) and obtain promising robust performance. However, the theory of ACL is not well understood. To fill this gap, we leverage the Rademacher complexity to analyze the generalization performance of ACL, with a particular focus on linear models and multi-layer neural networks under $\ell_p$ attack ($p \ge 1$). Our theory shows that the average adversarial risk of the downstream tasks can be upper bounded by the adversarial unsupervised risk of the upstream task. The experimental results validate our theory.

Interpretability research aims to build tools for understanding machine learning (ML) models. However, such tools are inherently hard to evaluate because we do not have ground truth information about how ML models actually work. In this work, we propose to build transformer models manually as a testbed for interpretability research. We introduce Tracr, a "compiler" for translating human-readable programs into weights of a transformer model. Tracr takes code written in RASP, a domain-specific language (Weiss et al. 2021), and translates it into weights for a standard, decoder-only, GPT-like transformer architecture. We use Tracr to create a range of ground truth transformers that implement programs including computing token frequencies, sorting, and Dyck-n parenthesis checking, among others. To enable the broader research community to explore and use compiled models, we provide an open-source implementation of Tracr at https://github.com/deepmind/tracr.

In this paper, we propose Wasserstein Isometric Mapping (Wassmap), a nonlinear dimensionality reduction technique that provides solutions to some drawbacks in existing global nonlinear dimensionality reduction algorithms in imaging applications. Wassmap represents images via probability measures in Wasserstein space, then uses pairwise Wasserstein distances between the associated measures to produce a low-dimensional, approximately isometric embedding. We show that the algorithm is able to exactly recover parameters of some image manifolds including those generated by translations or dilations of a fixed generating measure. Additionally, we show that a discrete version of the algorithm retrieves parameters from manifolds generated from discrete measures by providing a theoretical bridge to transfer recovery results from functional data to discrete data. Testing of the proposed algorithms on various image data manifolds show that Wassmap yields good embeddings compared with other global and local techniques.

In a partially observable Markov decision process (POMDP), an agent typically uses a representation of the past to approximate the underlying MDP. We propose to utilize a frozen Pretrained Language Transformer (PLT) for history representation and compression to improve sample efficiency. To avoid training of the Transformer, we introduce FrozenHopfield, which automatically associates observations with pretrained token embeddings. To form these associations, a modern Hopfield network stores these token embeddings, which are retrieved by queries that are obtained by a random but fixed projection of observations. Our new method, HELM, enables actor-critic network architectures that contain a pretrained language Transformer for history representation as a memory module. Since a representation of the past need not be learned, HELM is much more sample efficient than competitors. On Minigrid and Procgen environments HELM achieves new state-of-the-art results. Our code is available at https://github.com/ml-jku/helm.

In this paper we present SurvLIMEpy, an open-source Python package that implements the SurvLIME algorithm. This method allows to compute local feature importance for machine learning algorithms designed for modelling Survival Analysis data. Our implementation takes advantage of the parallelisation paradigm as all computations are performed in a matrix-wise fashion which speeds up execution time. Additionally, SurvLIMEpy assists the user with visualization tools to better understand the result of the algorithm. The package supports a wide variety of survival models, from the Cox Proportional Hazards Model to deep learning models such as DeepHit or DeepSurv. Two types of experiments are presented in this paper. First, by means of simulated data, we study the ability of the algorithm to capture the importance of the features. Second, we use three open source survival datasets together with a set of survival algorithms in order to demonstrate how SurvLIMEpy behaves when applied to different models.

Estimating the gradients of stochastic nodes is one of the crucial research questions in the deep generative modeling community, which enables the gradient descent optimization on neural network parameters. This estimation problem becomes further complex when we regard the stochastic nodes to be discrete because pathwise derivative techniques cannot be applied. Hence, the stochastic gradient estimation of discrete distributions requires either a score function method or continuous relaxation of the discrete random variables. This paper proposes a general version of the Gumbel-Softmax estimator with continuous relaxation, and this estimator is able to relax the discreteness of probability distributions including more diverse types, other than categorical and Bernoulli. In detail, we utilize the truncation of discrete random variables and the Gumbel-Softmax trick with a linear transformation for the relaxed reparameterization. The proposed approach enables the relaxed discrete random variable to be reparameterized and to backpropagated through a large scale stochastic computational graph. Our experiments consist of (1) synthetic data analyses, which show the efficacy of our methods; and (2) applications on VAE and topic model, which demonstrate the value of the proposed estimation in practices.

As a basic research problem for building effective recommender systems, post-click conversion rate (CVR) estimation has long been plagued by sample selection bias and data sparsity issues. To address the data sparsity issue, prevalent methods based on entire space multi-task model leverage the sequential pattern of user actions, i.e. exposure $\rightarrow$ click $\rightarrow$ conversion to construct auxiliary learning tasks. However, they still fall short of guaranteeing the unbiasedness of CVR estimates. This paper theoretically demonstrates two defects of these entire space multi-task models: (1) inherent estimation bias (IEB) for CVR estimation, where the CVR estimate is inherently higher than the ground truth; (2) potential independence priority (PIP) for CTCVR estimation, where the causality from click to conversion might be overlooked. This paper further proposes a principled method named entire space counterfactual multi-task model (ESCM$^2$), which employs a counterfactual risk minimizer to handle both IEB and PIP issues at once. To demonstrate the effectiveness of the proposed method, this paper explores its parameter tuning in practice, derives its analytic properties, and showcases its effectiveness in industrial CVR estimation, where ESCM$^2$ can effectively alleviate the intrinsic IEB and PIP issues and outperform baseline models.

When performing causal discovery, assumptions have to be made on how the true causal mechanism corresponds to the underlying joint probability distribution. These assumptions are labeled as causal razors in this work. We review numerous causal razors that appeared in the literature, and offer a comprehensive logical comparison of them. In particular, we scrutinize an unpopular causal razor, namely parameter minimality, in multinomial causal models and its logical relations with other well-studied causal razors. Our logical result poses a dilemma in selecting a reasonable scoring criterion for score-based casual search algorithms.

We study the fair regression problem under the notion of Mean Parity (MP) fairness, which requires the conditional mean of the learned function output to be constant with respect to the sensitive attributes. We address this problem by leveraging reproducing kernel Hilbert space (RKHS) to construct the functional space whose members are guaranteed to satisfy the fairness constraints. The proposed functional space suggests a closed-form solution for the fair regression problem that is naturally compatible with multiple sensitive attributes. Furthermore, by formulating the fairness-accuracy tradeoff as a relaxed fair regression problem, we derive a corresponding regression function that can be implemented efficiently and provides interpretable tradeoffs. More importantly, under some mild assumptions, the proposed method can be applied to regression problems with a covariance-based notion of fairness. Experimental results on benchmark datasets show the proposed methods achieve competitive and even superior performance compared with several state-of-the-art methods.

Class imbalance distribution widely exists in real-world engineering. However, the mainstream optimization algorithms that seek to minimize error will trap the deep learning model in sub-optimums when facing extreme class imbalance. It seriously harms the classification precision, especially on the minor classes. The essential reason is that the gradients of the classifier weights are imbalanced among the components from different classes. In this paper, we propose Attraction-Repulsion-Balanced Loss (ARB-Loss) to balance the different components of the gradients. We perform experiments on the large-scale classification and segmentation datasets and our ARB-Loss can achieve state-of-the-art performance via only one-stage training instead of 2-stage learning like nowadays SOTA works.

Counterfactual reasoning -- envisioning hypothetical scenarios, or possible worlds, where some circumstances are different from what (f)actually occurred (counter-to-fact) -- is ubiquitous in human cognition. Conventionally, counterfactually-altered circumstances have been treated as "small miracles" that locally violate the laws of nature while sharing the same initial conditions. In Pearl's structural causal model (SCM) framework this is made mathematically rigorous via interventions that modify the causal laws while the values of exogenous variables are shared. In recent years, however, this purely interventionist account of counterfactuals has increasingly come under scrutiny from both philosophers and psychologists. Instead, they suggest a backtracking account of counterfactuals, according to which the causal laws remain unchanged in the counterfactual world; differences to the factual world are instead "backtracked" to altered initial conditions (exogenous variables). In the present work, we explore and formalise this alternative mode of counterfactual reasoning within the SCM framework. Despite ample evidence that humans backtrack, the present work constitutes, to the best of our knowledge, the first general account and algorithmisation of backtracking counterfactuals. We discuss our backtracking semantics in the context of related literature and draw connections to recent developments in explainable artificial intelligence (XAI).

Multi-view data are commonly encountered in data mining applications. Effective extraction of information from multi-view data requires specific design of clustering methods to cater for data with multiple views, which is non-trivial and challenging. In this paper, we propose a novel one-step multi-view clustering method by exploiting the dual representation of both the common and specific information of different views. The motivation originates from the rationale that multi-view data contain not only the consistent knowledge between views but also the unique knowledge of each view. Meanwhile, to make the representation learning more specific to the clustering task, a one-step learning framework is proposed to integrate representation learning and clustering partition as a whole. With this framework, the representation learning and clustering partition mutually benefit each other, which effectively improve the clustering performance. Results from extensive experiments conducted on benchmark multi-view datasets clearly demonstrate the superiority of the proposed method.

In this work, we provide a deterministic alternative to the stochastic variational training of generative autoencoders. We refer to these new generative autoencoders as AutoEncoders within Flows (AEF), since the encoder and decoder are defined as affine layers of an overall invertible architecture. This results in a deterministic encoding of the data, as opposed to the stochastic encoding of VAEs. The paper introduces two related families of AEFs. The first family relies on a partition of the ambient space and is trained by exact maximum-likelihood. The second family exploits a deterministic expansion of the ambient space and is trained by maximizing the log-probability in this extended space. This latter case leaves complete freedom in the choice of encoder, decoder and prior architectures, making it a drop-in replacement for the training of existing VAEs and VAE-style models. We show that these AEFs can have strikingly higher performance than architecturally identical VAEs in terms of log-likelihood and sample quality, especially for low dimensional latent spaces. Importantly, we show that AEF samples are substantially sharper than VAE samples.  ( 2 min )

In this work, we study the problem of robustly estimating the mean/location parameter of distributions without moment bounds. For a large class of distributions satisfying natural symmetry constraints we give a sequence of algorithms that can efficiently estimate its location without incurring dimension-dependent factors in the error. Concretely, suppose an adversary can arbitrarily corrupt an $\varepsilon$-fraction of the observed samples. For every $k \in \mathbb{N}$, we design an estimator using time and samples $\tilde{O}({d^k})$ such that the dependence of the error on the corruption level $\varepsilon$ is an additive factor of $O(\varepsilon^{1-\frac{1}{2k}})$. The dependence on other problem parameters is also nearly optimal. Our class contains products of arbitrary symmetric one-dimensional distributions as well as elliptical distributions, a vast generalization of the Gaussian distribution. Examples include product Cauchy distributions and multi-variate $t$-distributions. In particular, even the first moment might not exist. We provide the first efficient algorithms for this class of distributions. Previously, such results where only known under boundedness assumptions on the moments of the distribution and in particular, are provably impossible in the absence of symmetry [KSS18, CTBJ22]. For the class of distributions we consider, all previous estimators either require exponential time or incur error depending on the dimension. Our algorithms are based on a generalization of the filtering technique [DK22]. We show how this machinery can be combined with Huber-loss-based approach to work with projections of the noise. Moreover, we show how sum-of-squares proofs can be used to obtain algorithmic guarantees even for distributions without first moment. We believe that this approach may find other application in future works.  ( 2 min )

There is a growing concern that learned conditional generative models may output samples that are substantially similar to some copyrighted data $C$ that was in their training set. We give a formal definition of $\textit{near access-freeness (NAF)}$ and prove bounds on the probability that a model satisfying this definition outputs a sample similar to $C$, even if $C$ is included in its training set. Roughly speaking, a generative model $p$ is $\textit{$k$-NAF}$ if for every potentially copyrighted data $C$, the output of $p$ diverges by at most $k$-bits from the output of a model $q$ that $\textit{did not access $C$ at all}$. We also give generative model learning algorithms, which efficiently modify the original generative model learning algorithm in a black box manner, that output generative models with strong bounds on the probability of sampling protected content. Furthermore, we provide promising experiments for both language (transformers) and image (diffusion) generative models, showing minimal degradation in output quality while ensuring strong protections against sampling protected content.  ( 2 min )

The parameters of a machine learning model are typically learned by minimizing a loss function on a set of training data. However, this can come with the risk of overtraining; in order for the model to generalize well, it is of great importance that we are able to find the optimal parameter for the model on the entire population -- not only on the given training sample. In this paper, we construct valid confidence sets for this optimal parameter of a machine learning model, which can be generated using only the training data without any knowledge of the population. We then show that studying the distribution of this confidence set allows us to assign a notion of confidence to arbitrary regions of the parameter space, and we demonstrate that this distribution can be well-approximated using bootstrapping techniques.  ( 2 min )

The kernel two-sample test based on the maximum mean discrepancy (MMD) is one of the most popular methods for detecting differences between two distributions over general metric spaces. In this paper we propose a method to boost the power of the kernel test by combining MMD estimates over multiple kernels using their Mahalanobis distance. We derive the asymptotic null distribution of the proposed test statistic and use a multiplier bootstrap approach to efficiently compute the rejection region. The resulting test is universally consistent and, since it is obtained by aggregating over a collection of kernels/bandwidths, is more powerful in detecting a wide range of alternatives in finite samples. We also derive the distribution of the test statistic for both fixed and local contiguous alternatives. The latter, in particular, implies that the proposed test is statistically efficient, that is, it has non-trivial asymptotic (Pitman) efficiency. Extensive numerical experiments are performed on both synthetic and real-world datasets to illustrate the efficacy of the proposed method over single kernel tests. Our asymptotic results rely on deriving the joint distribution of MMD estimates using the framework of multiple stochastic integrals, which is more broadly useful, specifically, in understanding the efficiency properties of recently proposed adaptive MMD tests based on kernel aggregation.  ( 2 min )

While the Bayesian decision-theoretic framework offers an elegant solution to the problem of decision making under uncertainty, one question is how to appropriately select the prior distribution. One idea is to employ a worst-case prior. However, this is not as easy to specify in sequential decision making as in simple statistical estimation problems. This paper studies (sometimes approximate) minimax-Bayes solutions for various reinforcement learning problems to gain insights into the properties of the corresponding priors and policies. We find that while the worst-case prior depends on the setting, the corresponding minimax policies are more robust than those that assume a standard (i.e. uniform) prior.  ( 2 min )

While quantum reinforcement learning (RL) has attracted a surge of attention recently, its theoretical understanding is limited. In particular, it remains elusive how to design provably efficient quantum RL algorithms that can address the exploration-exploitation trade-off. To this end, we propose a novel UCRL-style algorithm that takes advantage of quantum computing for tabular Markov decision processes (MDPs) with $S$ states, $A$ actions, and horizon $H$, and establish an $\mathcal{O}(\mathrm{poly}(S, A, H, \log T))$ worst-case regret for it, where $T$ is the number of episodes. Furthermore, we extend our results to quantum RL with linear function approximation, which is capable of handling problems with large state spaces. Specifically, we develop a quantum algorithm based on value target regression (VTR) for linear mixture MDPs with $d$-dimensional linear representation and prove that it enjoys $\mathcal{O}(\mathrm{poly}(d, H, \log T))$ regret. Our algorithms are variants of UCRL/UCRL-VTR algorithms in classical RL, which also leverage a novel combination of lazy updating mechanisms and quantum estimation subroutines. This is the key to breaking the $\Omega(\sqrt{T})$-regret barrier in classical RL. To the best of our knowledge, this is the first work studying the online exploration in quantum RL with provable logarithmic worst-case regret.  ( 2 min )

Identifying causal relations among multi-variate time series is one of the most important elements towards understanding the complex mechanisms underlying the dynamic system. It provides critical tools for forecasting, simulations and interventions in science and business analytics. In this paper, we proposed a graph neural network approach with score-based method aiming at learning a sparse DAG that captures the causal dependencies in a discretized time temporal graph. We demonstrate methods with graph neural network significantly outperformed other state-of-the-art methods with dynamic bayesian networking inference. In addition, from the experiments, the structural causal model can be more accurate than a linear SCM discovered by the methods such as Notears.  ( 2 min )

Recently, researchers observed that gradient descent for deep neural networks operates in an ``edge-of-stability'' (EoS) regime: the sharpness (maximum eigenvalue of the Hessian) is often larger than stability threshold $2/\eta$ (where $\eta$ is the step size). Despite this, the loss oscillates and converges in the long run, and the sharpness at the end is just slightly below $2/\eta$. While many other well-understood nonconvex objectives such as matrix factorization or two-layer networks can also converge despite large sharpness, there is often a larger gap between sharpness of the endpoint and $2/\eta$. In this paper, we study EoS phenomenon by constructing a simple function that has the same behavior. We give rigorous analysis for its training dynamics in a large local region and explain why the final converging point has sharpness close to $2/\eta$. Globally we observe that the training dynamics for our example has an interesting bifurcating behavior, which was also observed in the training of neural nets.  ( 2 min )

In fields such as medicine and drug discovery, the ultimate goal of a classification is not to guess a class, but to choose the optimal course of action among a set of possible ones, usually not in one-one correspondence with the set of classes. This decision-theoretic problem requires sensible probabilities for the classes. Probabilities conditional on the features are computationally almost impossible to find in many important cases. The main idea of the present work is to calculate probabilities conditional not on the features, but on the trained classifier's output. This calculation is cheap, needs to be made only once, and provides an output-to-probability "transducer" that can be applied to all future outputs of the classifier. In conjunction with problem-dependent utilities, the probabilities of the transducer allow us to find the optimal choice among the classes or among a set of more general decisions, by means of expected-utility maximization. This idea is demonstrated in a simplified drug-discovery problem with a highly imbalanced dataset. The transducer and utility maximization together always lead to improved results, sometimes close to theoretical maximum, for all sets of problem-dependent utilities. The one-time-only calculation of the transducer also provides, automatically: (i) a quantification of the uncertainty about the transducer itself; (ii) the expected utility of the augmented algorithm (including its uncertainty), which can be used for algorithm selection; (iii) the possibility of using the algorithm in a "generative mode", useful if the training dataset is biased.  ( 2 min )

Understanding and quantifying cause and effect is an important problem in many domains. The generally-agreed solution to this problem is to perform a randomised controlled trial. However, even when randomised controlled trials can be performed, they usually have relatively short duration's due to cost considerations. This makes learning long-term causal effects a very challenging task in practice, since the long-term outcome is only observed after a long delay. In this paper, we study the identification and estimation of long-term treatment effects when both experimental and observational data are available. Previous work provided an estimation strategy to determine long-term causal effects from such data regimes. However, this strategy only works if one assumes there are no unobserved confounders in the observational data. In this paper, we specifically address the challenging case where unmeasured confounders are present in the observational data. Our long-term causal effect estimator is obtained by combining regression residuals with short-term experimental outcomes in a specific manner to create an instrumental variable, which is then used to quantify the long-term causal effect through instrumental variable regression. We prove this estimator is unbiased, and analytically study its variance. In the context of the front-door causal structure, this provides a new causal estimator, which may be of independent interest. Finally, we empirically test our approach on synthetic-data, as well as real-data from the International Stroke Trial.  ( 2 min )

Recently, diffusion probabilistic models (DPMs) have achieved promising results in diverse generative tasks. A typical DPM framework includes a forward process that gradually diffuses the data distribution and a reverse process that recovers the data distribution from time-dependent data scores. In this work, we observe that the stochastic reverse process of data scores is a martingale, from which concentration bounds and the optional stopping theorem for data scores can be derived. Then, we discover a simple way for calibrating an arbitrary pretrained DPM, with which the score matching loss can be reduced and the lower bounds of model likelihood can consequently be increased. We provide general calibration guidelines under various model parametrizations. Our calibration method is performed only once and the resulting models can be used repeatedly for sampling. We conduct experiments on multiple datasets to empirically validate our proposal. Our code is at https://github.com/thudzj/Calibrated-DPMs.  ( 2 min )

The task of infomin learning aims to learn a representation with high utility while being uninformative about a specified target, with the latter achieved by minimising the mutual information between the representation and the target. It has broad applications, ranging from training fair prediction models against protected attributes, to unsupervised learning with disentangled representations. Recent works on infomin learning mainly use adversarial training, which involves training a neural network to estimate mutual information or its proxy and thus is slow and difficult to optimise. Drawing on recent advances in slicing techniques, we propose a new infomin learning approach, which uses a novel proxy metric to mutual information. We further derive an accurate and analytically computable approximation to this proxy metric, thereby removing the need of constructing neural network-based mutual information estimators. Experiments on algorithmic fairness, disentangled representation learning and domain adaptation verify that our method can effectively remove unwanted information with limited time budget.  ( 2 min )

Deploying machine learning models to new tasks is a major challenge despite the large size of the modern training datasets. However, it is conceivable that the training data can be reweighted to be more representative of the new (target) task. We consider the problem of reweighing the training samples to gain insights into the distribution of the target task. Specifically, we formulate a distribution shift model based on the exponential tilt assumption and learn train data importance weights minimizing the KL divergence between labeled train and unlabeled target datasets. The learned train data weights can then be used for downstream tasks such as target performance evaluation, fine-tuning, and model selection. We demonstrate the efficacy of our method on Waterbirds and Breeds benchmarks.  ( 2 min )

Skip connections and normalisation layers form two standard architectural components that are ubiquitous for the training of Deep Neural Networks (DNNs), but whose precise roles are poorly understood. Recent approaches such as Deep Kernel Shaping have made progress towards reducing our reliance on them, using insights from wide NN kernel theory to improve signal propagation in vanilla DNNs (which we define as networks without skips or normalisation). However, these approaches are incompatible with the self-attention layers present in transformers, whose kernels are intrinsically more complicated to analyse and control. And so the question remains: is it possible to train deep vanilla transformers? We answer this question in the affirmative by designing several approaches that use combinations of parameter initialisations, bias matrices and location-dependent rescaling to achieve faithful signal propagation in vanilla transformers. Our methods address various intricacies specific to signal propagation in transformers, including the interaction with positional encoding and causal masking. In experiments on WikiText-103 and C4, our approaches enable deep transformers without normalisation to train at speeds matching their standard counterparts, and deep vanilla transformers to reach the same performance as standard ones after about 5 times more iterations.  ( 2 min )

Gradient boosting machines (GBMs) based on decision trees consistently demonstrate state-of-the-art results on regression and classification tasks with tabular data, often outperforming deep neural networks. However, these models do not provide well-calibrated predictive uncertainties, which prevents their use for decision making in high-risk applications. The Bayesian treatment is known to improve predictive uncertainty calibration, but previously proposed Bayesian GBM methods are either computationally expensive, or resort to crude approximations. Variational inference is often used to implement Bayesian neural networks, but is difficult to apply to GBMs, because the decision trees used as weak learners are non-differentiable. In this paper, we propose to implement Bayesian GBMs using variational inference with soft decision trees, a fully differentiable alternative to standard decision trees introduced by Irsoy et al. Our experiments demonstrate that variational soft trees and variational soft GBMs provide useful uncertainty estimates, while retaining good predictive performance. The proposed models show higher test likelihoods when compared to the state-of-the-art Bayesian GBMs in 7/10 tabular regression datasets and improved out-of-distribution detection in 5/10 datasets.  ( 2 min )

Oceanographers are interested in predicting ocean currents and identifying divergences in a current vector field based on sparse observations of buoy velocities. Since we expect current dynamics to be smooth but highly non-linear, Gaussian processes (GPs) offer an attractive model. But we show that applying a GP with a standard stationary kernel directly to buoy data can struggle at both current prediction and divergence identification -- due to some physically unrealistic prior assumptions. To better reflect known physical properties of currents, we propose to instead put a standard stationary kernel on the divergence and curl-free components of a vector field obtained through a Helmholtz decomposition. We show that, because this decomposition relates to the original vector field just via mixed partial derivatives, we can still perform inference given the original data with only a small constant multiple of additional computational expense. We illustrate the benefits of our method on synthetic and real ocean data.  ( 2 min )

Understanding the complexity of sampling from a strongly log-concave and log-smooth distribution $\pi$ on $\mathbb{R}^d$ to high accuracy is a fundamental problem, both from a practical and theoretical standpoint. In practice, high-accuracy samplers such as the classical Metropolis-adjusted Langevin algorithm (MALA) remain the de facto gold standard; and in theory, via the proximal sampler reduction, it is understood that such samplers are key for sampling even beyond log-concavity (in particular, for distributions satisfying isoperimetric assumptions). In this work, we improve the dimension dependence of this sampling problem to $\tilde{O}(d^{1/2})$, whereas the previous best result for MALA was $\tilde{O}(d)$. This closes the long line of work on the complexity of MALA, and moreover leads to state-of-the-art guarantees for high-accuracy sampling under strong log-concavity and beyond (thanks to the aforementioned reduction). Our starting point is that the complexity of MALA improves to $\tilde{O}(d^{1/2})$, but only under a warm start (an initialization with constant R\'enyi divergence w.r.t. $\pi$). Previous algorithms took much longer to find a warm start than to use it, and closing this gap has remained an important open problem in the field. Our main technical contribution settles this problem by establishing the first $\tilde{O}(d^{1/2})$ R\'enyi mixing rates for the discretized underdamped Langevin diffusion. For this, we develop new differential-privacy-inspired techniques based on R\'enyi divergences with Orlicz--Wasserstein shifts, which allow us to sidestep longstanding challenges for proving fast convergence of hypocoercive differential equations.  ( 2 min )

In this paper, we propose a generic framework for active clustering with queries for pairwise similarities between objects. First, the pairwise similarities can be any positive or negative number, yielding full flexibility in the type of feedback that a user/annotator can provide. Second, the process of querying pairwise similarities is separated from the clustering algorithm, leading to more flexibility in how the query strategies can be constructed. Third, the queries are robust to noise by allowing multiple queries for the same pairwise similarity (i.e., a non-persistent noise model is assumed). Finally, the number of clusters is automatically identified based on the currently known pairwise similarities. In addition, we propose and analyze a number of novel query strategies suited to this active clustering framework. We demonstrate the effectiveness of our framework and the proposed query strategies via several experimental studies.  ( 2 min )

Data valuation, especially quantifying data value in algorithmic prediction and decision-making, is a fundamental problem in data trading scenarios. The most widely used method is to define the data Shapley and approximate it by means of the permutation sampling algorithm. To make up for the large estimation variance of the permutation sampling that hinders the development of the data marketplace, we propose a more robust data valuation method using stratified sampling, named variance reduced data Shapley (VRDS for short). We theoretically show how to stratify, how many samples are taken at each stratum, and the sample complexity analysis of VRDS. Finally, the effectiveness of VRDS is illustrated in different types of datasets and data removal applications.  ( 2 min )

submitted by /u/Littlebigmaker [link] [comments]  ( 40 min )

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I'm looking to launch a fun music AI site. I am trying to determine the best platform/program/API to use to build it. Set some inputs and parameters, generate said song. Any recommendations? Thank you! submitted by /u/ridingbikesrules [link] [comments]  ( 41 min )

submitted by /u/theindianappguy [link] [comments]  ( 41 min )

​ https://preview.redd.it/6ru5i6leksja1.png?width=1568&format=png&auto=webp&s=1726eb36a2b1919c3fdab3101271eba3a5b5724a The Short Version: I am writing this because I am seriously concerned for everybody in the world. And I hope this simple message helps people take a step back and evaluate their relationship with their technology, so they can live a healthier, more balanced life. In our modern era, technology is progressing faster than ever, bringing with it an array of addictive things that can draw us away from reality and health. To avoid the negative effects of tech addiction, it's crucial to limit usage, practice self-care, make time for Jesus, eat better, get exercise, prioritize real-life relationships, and get healthy rest, etc. We are living in a tech and entertainment EXPLOSI…  ( 45 min )

submitted by /u/dcastm [link] [comments]  ( 41 min )

Hello, I'm a swedish student, I'm writing a research paper about AI used in design industry. And I need help figuring out a good thesis, right now I have this; Use of Artificial intelligence in graphic designing. Artificial intelligence can be used as a tool to help designers create multiple designs in a short time span. But is also comes with its flaws. Right now, there is a problem making an AI system that contributes usefully to any work no matter the given business. I feel like that may not be the main problem/ too wide problem to work with. Any suggestions is helpful:) submitted by /u/__elias__1 [link] [comments]  ( 41 min )

So I live in a country where Openai don't support, so i have to use VPN (proton VPN) and an sms website (smspool.net) to get a foreign phone number. Paid a bit over half a dollar to get the number and signed up to openai. Since all the free numbers are always taken. All is good. Then later, I log in to openai again, it says authentication is wrong or sth and wants me to re-enter my phone number. But the thing is the phone number has expired, turns out smspool only hold onto that number for 1-2 hours before they flush it out of their system. Now I can still enter the phone number I bought, but it doesn't show me anymore sms with activation codes. It only shows the first code when I sign up for Openai. in other words, it's not receiving any more sms sent from Openai. So now I'm stuck. I can't be paying half a dollar for a fake number to log on to Openai every time. Is it because of the VPN server I used? Do I need to remember which sever I used when I got into openai and use that same exact server every time I want to log in? How do I fix this? submitted by /u/JohnTEGS [link] [comments]  ( 42 min )

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I've always hated laugh tracks, or forced studio live laughing for that matter, and I would love to watch for example Friends or HIMYM without them. Has anyone heard of work being done to strip it from audio tracks? submitted by /u/7734128 [link] [comments]  ( 43 min )

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Hi! I've been working on a platform that gives users API access to fine-tuned GPT models made by others in the community. At this point, we are looking at releasing soon, hopefully in a week or two and so I've put up a waitlist to give some users early access and to get a sense of the interest as well as a discord for user feedback. Also, we are looking for model creators that are looking to share their fine-tuned GPT models with others as well as monetize their work. We think there is a market for high-quality fine-tuned GPT models that users can easily access without doing all of the hard work fine-tuning themselves and that model creators can earn a reasonable amount or at least enough to offset their API calls to OpenAI. We are in the early stages and so we will personally be onboarding all model creators. For early access join our waitlist: https://www.modeltune.co If you're a model creator looking to reach out: [hamsa@modeltune.co](mailto:hamsa@modeltune.co) If you have any questions I'd be happy to answer! submitted by /u/Aggravating_Art_173 [link] [comments]  ( 41 min )

A discussion on the performance comparison between ChatGPT and DaVinci03, two natural language processing models. submitted by /u/Maleficent_Suit1591 [link] [comments]  ( 40 min )

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They group! I'm new here and not sure if this is the best place to ask. I got a domestic challenge, that might be solved by an AI. My wife has a 500G external hard drive full of pics and videos without any kind of order, and we also have a 1TB cloud drive with ~300gb more photos and videos, and some files might be duplicated on the same drive/between the drives. Since years ago she knows that she needs to sort them but the task is so big that cannot find the energy to do it. So i'm no dev, but work on the sysadmin side of things. The last year i've done a python script to at least get the hash of all files and delete all duplicated files with same hash, but was not nearly enough to help her. ​ So i thought, what if there is an AI that maybe with our assistance training it, we could sort it out by approximate age of people in the pics/videos, or by who is in which pic? Is this possible? I got a pc with a gtx 2060 super that might help us out? ​ Our two requisites would be, this AI should be free, and we should be able to deploy it locally, don't want to give them to another third party (other than the cloud itself). ​ Thanks! submitted by /u/DaegurthMiddnight [link] [comments]  ( 42 min )

submitted by /u/wyem [link] [comments]  ( 41 min )

Here comes the flood I wrote a piece recently on why I don’t believe in a flood of AI-content, not because there would be no mass of synthetic culture produced with generative AI, but because that flood of stuff just has no impact, lacks effort and emotionality to grab your attention, and is, as art and culture, just mediocre and flat. And while I want to emphasize that while writing i was not thinking about bureaucratic systems, but human psychology and perception, I was wrong regarding systems and institutions. I have a piece coming up in a tech magazine about how generative AI might overwhelm systems of rights management organizations and collection societies for holders of copyright, and that the current copyrights are not up for the task, even when you can’t claim a copyright on sy…  ( 48 min )

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This post is co-written with Swagata Ashwani, Senior Data Scientist at Boomi. Boomi is an enterprise-level software as a service (SaaS) independent software vendor (ISV) that creates developer enablement tooling for software engineers. These tools integrate via API into Boomi’s core service offering. In this post, we discuss how Boomi used the bring-your-own-container (BYOC) approach […]  ( 8 min )

At this point we have open source LLM's, text-to-image models, and CLIP-like models but nothing similar to Flamingo. I am guessing some groups have already started working on this, but I just don't know them. Does anyone know? Looks like a great fit for LAION. Also, I have some experience in this area and wouldn't mind lending a hand if that's possible. I really want to get my hands on a Flamingo-like large, multi-modal, few-shot model to see how it performs on vision-language compositionally tasks like Winoground. I am guessing these models might do a lot better than their smaller counterparts owing better generalization and reasoning capabilities of LLMs. submitted by /u/chigur86 [link] [comments]  ( 43 min )

Letter from the U.S. Copyright Office (PDF file). Blog post from Kris Kashtanova's lawyer. We received the decision today relative to Kristina Kashtanova's case about the comic book Zarya of the Dawn. Kris will keep the copyright registration, but it will be limited to the text and the whole work as a compilation. In one sense this is a success, in that the registration is still valid and active. However, it is the most limited a copyright registration can be and it doesn't resolve the core questions about copyright in AI-assisted works. Those works may be copyrightable, but the USCO did not find them so in this case. My previous post about this case. submitted by /u/Wiskkey [link] [comments]  ( 46 min )

Dear Colleagues This posting may be of interest to folks that use Catch22 for their time series research. What is the problem? Catch22 is a wonderfully useful tool for time series... But the names of the features, for example SC_FluctAnal_2_dfa_50_1_2_logi_prop_r1 or SB_TransitionMatrix_3ac_sumdiagcov are awkward to use and have little mnemonic value. Moreover, some of the names are very easy to confuse, such as: DN_OutlierInclude_n_001_mdrmd and DN_OutlierInclude_p_001_mdrmd This makes Catch22 awkward to use with a conversational agent, or many explainability/interpretability techniques etc. Their long length means it is even awkward to discuss features in a two-column paper format. Thus, we propose to find a set of new meaningful names for the features. Design principles The name should reflect what a feature is sensitive to. Ideal names would be one word, for example: noise, spike, symmetric, step, falling, periodic, simple, smooth, linear etc. However, given that it is likely to be rare a single feature has such specificity, the name could be a compound word, for example: uniform-noise, localized-noise, positive-spike, negative-spike etc. Compound words with three parts might be acceptable, i.e. fall-then-rise, however beyond three parts would be undesirable. In [a] we have a visual summary of the above, and one tentative worked example. We look forward to the community’s input. Many thanks Keogh's Lab [a] PDF: https://www.dropbox.com/s/n1aybeps5p2ho5k/Finding%20Better%20Names%20for%20the%20Catch22%20Features.pdf?dl=0 PPT: https://www.dropbox.com/s/kxodalw2beyz86j/Finding%20Better%20Names%20for%20the%20Catch22%20Features.pptx?dl=0 submitted by /u/eamonnkeogh [link] [comments]  ( 43 min )

Announcing the first-ever course on Data-Centric AI. Learn how to train better ML models by improving the data. Course homepage | Lecture videos on YouTube | Lab Assignments The course covers: Data-Centric AI vs. Model-Centric AI Label Errors Dataset Creation and Curation Data-centric Evaluation of ML Models Class Imbalance, Outliers, and Distribution Shift Growing or Compressing Datasets Interpretability in Data-Centric ML Encoding Human Priors: Data Augmentation and Prompt Engineering Data Privacy and Security MIT, like most universities, has many courses on machine learning (6.036, 6.867, and many others). Those classes teach techniques to produce effective models for a given dataset, and the classes focus heavily on the mathematical details of models rather than practical applications. However, in real-world applications of ML, the dataset is not fixed, and focusing on improving the data often gives better results than improving the model. We’ve personally seen this time and time again in our applied ML work as well as our research. Data-Centric AI (DCAI) is an emerging science that studies techniques to improve datasets in a systematic/algorithmic way — given that this topic wasn’t covered in the standard curriculum, we (a group of PhD candidates and grads) thought that we should put together a new class! We taught this intensive 2-week course in January over MIT’s IAP term, and we’ve just published all the course material, including lecture videos, lecture notes, hands-on lab assignments, and lab solutions, in hopes that people outside the MIT community would find these resources useful. We’d be happy to answer any questions related to the class or DCAI in general, and we’d love to hear any feedback on how we can improve the course material. Introduction to Data-Centric AI is open-source opencourseware, so feel free to make improvements directly: https://github.com/dcai-course/dcai-course. submitted by /u/anishathalye [link] [comments]  ( 44 min )

What's the best way to improve the inference speed of a Flan-T5 model? Onnx runtime doesn't seem to work for T5 models & Torchscript also doesn't seem to help speed it up (not sure why!) submitted by /u/_learn_faster_ [link] [comments]  ( 43 min )

Hi everyone, in a new paper we give a way to certify that a generative model does not infringe on the copyright of data that was in its training set. Twitter thread: https://twitter.com/boazbaraktcs/status/1628219647651729409 Blogpost: https://windowsontheory.org/2023/02/21/provable-copyright-protection-for-generative-models/ Paper: https://arxiv.org/abs/2302.10870 Abstract: There is a growing concern that learned conditional generative models may output samples that are substantially similar to some copyrighted data C that was in their training set. We give a formal definition of near access-freeness (NAF) and prove bounds on the probability that a model satisfying this definition outputs a sample similar to C, even if C is included in its training set. Roughly speaking, a generative model p is k-NAF if for every potentially copyrighted data C, the output of p diverges by at most k-bits from the output of a model q that did not access C at all. We also give generative model learning algorithms, which efficiently modify the original generative model learning algorithm in a black box manner, that output generative models with strong bounds on the probability of sampling protected content. Furthermore, we provide promising experiments for both language (transformers) and image (diffusion) generative models, showing minimal degradation in output quality while ensuring strong protections against sampling protected content. submitted by /u/vyasnikhil96 [link] [comments]  ( 48 min )

So it seems in this test of the four popular scikit-learn datasets. The test uses as judging criteria the accuracy reported by a special classifier. In two of the datasets (iris and digits) the equal-width method markedly outperforms equal-frequency. In the other two datasets evaluated the differences are much narrower and could be considered as a tie result. The observations appear to be rather consistent when varying the number of bins used to discretize the attribute values. This seems counter-intuitive; equal-frequency should have an advantage by providing better immunity in the presence of outliers. Any thoughts? The used classifier, "deodel", discretizes continuous attributes using one of the two methods. After discretization, it behaves like a Hamming distance nearest neighbor…  ( 45 min )

I was reading this paper, and I really liked the visualization of the conv layer weights in Figure 5. It's similar to the figures in this talk at Microsoft at 11:25. Does anyone know what this visualization is called and/or methods to use it? submitted by /u/like_a_tensor [link] [comments]  ( 43 min )

"Deep learning is the only thing that currently works at scale it's the only class of algorithms that is able to discover arbitrary functions in a reasonable amount of time." https://www.youtube.com/watch?v=p-OYPRhqRCg I know of the universal approximation theorem. But is there any mathematical formulation of this statement? submitted by /u/GraciousReformer [link] [comments]  ( 50 min )

Not published in an open journal sadly. Press release. TL;DR they set up a loss function (fastest growing survives) and evolved a bunch of yeast cells towards that loss function. This is a classic experiment, but they sequenced the DNA at each step and got a lot of cool data. The yeast cells converged much like you'd expect from an optimizer: The results of the experiment showed that in a controlled environment, evolutionary contingency led to convergence rather than divergence at the fitness level. Simply put, while the various yeast strains did mutate in different ways, they all arrived at a similar evolutionary endpoint regardless of their mutations. I wonder if you could do this more quickly using gradient descent or other algorithms from machine learning. Since they're already sequencing the DNA at each step, they could have estimated the gradient and edited it back into the yeast. It would likely converge on similar solutions, but faster. submitted by /u/currentscurrents [link] [comments]  ( 44 min )

Welcome to Research Focus, a new series of blog posts that highlights notable publications, events, code/datasets, new hires and other milestones from across the research community at Microsoft. Many real-world applications require sequential decision making, where an agent interacts with a stochastic environment to perform a task. For example, a navigating robot is expected to […] The post Research Focus: Week of February 20, 2023 appeared first on Microsoft Research.  ( 11 min )

submitted by /u/Ziinxx [link] [comments]  ( 40 min )

Artificial intelligence (AI) - The system needs new structures - "I thought the whole idea of strong AI is that we don't have to know how the brain works in order to know how the mind works." (John Searle: "Minds, Brains, and Programs." 2000, p. 146) Construction 1 This is "Construction 1" of my entire essay "The system needs new structures - not only for/against Artificial Intelligence (AI)" and forms the conclusion to the trilogy of "philosophy of science" (https://philosophies.de/index.php/category/wissenschaftstheorie/). The 5 basic theses for a "new science" - the current state of current AI-development This first part of the essay deals with the 5 basic theses on a "new science" as structural change and the current status of current AI development published on: https://philosophies.de/index.php/2021/08/14/das-system-braucht-neue-strukturen/ There is an orange translation button "Translate>>" at the bottom left. submitted by /u/philosophiesde [link] [comments]  ( 41 min )

Hey there, We just wrote a tutorial on how to train agents playing Doom with Sample-Factory 🔫 🔥 You'll learn a new library: Sample Factory and you’ll train a PPO agent to play DOOM 🔫 🔥 Sounds fun? Start learning now 👉 https://huggingface.co/deep-rl-course/unit8/introduction-sf https://preview.redd.it/kje06rq7orja1.png?width=1920&format=png&auto=webp&s=1b556f35f779c8d5ba7d7feccc0f1c111d79b5d9 You didn’t start the course yet? You can do this tutorial as a standalone or start from the beginning, we wrote a guide to help you get started: https://huggingface.co/spaces/ThomasSimonini/Check-my-progress-Deep-RL-Course We also wrote an introduction unit to help you get started. You can start learning now 👉 https://huggingface.co/deep-rl-course/unit0/introduction If you have questions or feedback I would love to answer them. Keep Learning stay awesome submitted by /u/cranthir_ [link] [comments]  ( 41 min )

I am working on a project using DQN. Some hyperparameters I think will be relevant to my issue are as follow: target network update frequency = 5000 experience replay capacity = 200000 batch size = 64 exploration greedy epsilon decreases linearly from 1 to 0.05 over 50000 iterations Previously, in the warmup stage I would fill the replay buffer by playing 50 games (=50 complete trajectories) from the training set, each game would generate around 300 tuples. Once the training phase is formally started after the warmup stage, every 200 training iterations I would again generate 50 complete trajectories and put into the replay buffer (I also tried before that generate 2 complete trajectories every 10 training iterations, it also worked). This version worked, the metric was improving (my objective is to minimize a given metric, and the metric is decreasing well on validation set) although the loss did not decrease (I read somewhere that for reinforcement learning the loss does not really matter?) Now, I change the training and sampling scheme to the following: in the warmup stage, I play games to generate 50000 tuples to fill the replay buffer. Once the warmup stage is done, in between every training iteration I would play games to generate 64 tuples to be put into the buffer, so it is not a complete trajectory. I think this is what most people would do in contrast to my previous training and sampling scheme. However, after changing my framework to this scheme, my model is not learning, the metric on my validation set fluctuates even though hyperparameters, network structure and everything else stay the same. I tried changing target network update frequency, learning rate, changed from generating 64 tuples in between training iteration to 32 tuples, exploration epsilon decay rate, it is still not learning. Any idea why or what I can attempt to see what‘s the culprit? submitted by /u/butterJM [link] [comments]  ( 43 min )

I've been trying to train a Robot arm to grab boxes and put them inside a Container, using Observations from the camera. however, the tensorboard outputs seem to indicate that the policy is not learning at all (I left it for 2 days on my PC"CPU") so before I try to leave it any longer I thought to apply curriculum learning or alter reards functions.anyone has any Idea what's the right step to take here? the Reward functions I used are : -0.1 time penalty distance reward = 1-(distance)^0.4, Velocity Reward = 1- max(velocity,0.1)^0.4 [Used to handle Speed of object while being put in container] total reward = distance reward * velocity reward some spare read => putting a box in container +100, putting all boxes inside container +1000, throwing boxes on ground -100, and terminating the episode I started with a smaller network PPO and tried to alter the configuration , here are the final ones I used for this training run ppo hyperparameters: batch_size: 1024 buffer_size: 10240 learning_rate: 3e-05 beta: 0.005 epsilon: 0.2 lambd: 0.95 num_epoch: 3 learning_rate_schedule: linear beta_schedule: linear epsilon_schedule: linear network_settings: normalize: True hidden_units: 512 num_layers: 5 vis_encode_type: simple memory: None goal_conditioning_type: hyper deterministic: False reward_signals: extrinsic: gamma: 0.99 strength: 1.0 network_settings: normalize: False hidden_units: 128 num_layers: 2 vis_encode_type: simple memory: None goal_conditioning_type: hyper deterministic: False init_path: None keep_checkpoints: 5 checkpoint_interval: 500000 max_steps: 5000000 time_horizon: 64 summary_freq: 10000 threaded: False self_play: None behavioral_cloning: None ​ ​ https://preview.redd.it/ddzg4pe2xqja1.png?width=815&format=png&auto=webp&s=96bec39f86f2f0cf3e869ac08e33537ddbd2c0ab submitted by /u/Smart_Reward3471 [link] [comments]  ( 43 min )

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Posted by Hartmut Neven, VP of Engineering, and Julian Kelly, Director of Quantum Hardware, on behalf of the Google Quantum AI Team Many years from today, scientists will be able to use fault-tolerant quantum computers for large-scale computations with applications across science and industry. These quantum computers will be much bigger than today, consisting of millions of coherent quantum bits, or qubits. But there’s a catch — these basic building blocks must be good enough or the systems will be overrun with errors. Currently, the error rates of the qubits on our 3rd generation Sycamore processor are typically between 1 in 10,000 to 1 in 100. Through our work and that of others, we understand that developing large-scale quantum computers will require far lower error rates. We will n…  ( 94 min )

Laptops equipped with NVIDIA GeForce RTX 4070, 4060 and 4050 GPUs are now available. The new lineup — including NVIDIA Studio-validated laptops from ASUS, GIGABYTE and Samsung — gives creators more options to create from anywhere with lighter, thinner devices that dramatically exceed the performance of the last generation.  ( 8 min )

Alan Morrison, contributor at Data Science Central, recently integrated two of my blogs (one recent and many moons ago) into an interesting perspective that he shared on the Data Science Central email distribution list (get on it if you are not already). Alan’s key points are this: Sorry, but there are no shortcuts if you… Read More »Sorry, There Are No Shortcuts To Transformation The post Sorry, There Are No Shortcuts To Transformation appeared first on Data Science Central.  ( 19 min )

To test whether a number is divisible by 11, add every other digit together and subtract the rest of the digits. The result is divisible by 11 if and only if the original number is divisible by 11. For example, start with n = 31425. Add 3, 4, and 5, and subtract 1 and 2. […] Divisibility by base + 1 first appeared on John D. Cook.  ( 5 min )

We present a discriminative clustering approach in which the feature representation can be learned from data and moreover leverage labeled data. Representation learning can give a similarity-based clustering method the ability to automatically adapt to an underlying, yet hidden, geometric structure of the data. The proposed approach augments the DIFFRAC method with a representation learning capability, using a gradient-based stochastic training algorithm and an optimal transport algorithm with entropic regularization to perform the cluster assignment step. The resulting method is evaluated on several real datasets when varying the ratio of labeled data to unlabeled data and thereby interpolating between the fully unsupervised regime and the fully supervised regime. The experimental results suggest that the proposed method can learn powerful feature representations even in the fully unsupervised regime and can leverage even small amounts of labeled data to improve the feature representations and to obtain better clusterings of complex datasets.  ( 2 min )

Missing data in time series is a pervasive problem that puts obstacles in the way of advanced analysis. A popular solution is imputation, where the fundamental challenge is to determine what values should be filled in. This paper proposes SAITS, a novel method based on the self-attention mechanism for missing value imputation in multivariate time series. Trained by a joint-optimization approach, SAITS learns missing values from a weighted combination of two diagonally-masked self-attention (DMSA) blocks. DMSA explicitly captures both the temporal dependencies and feature correlations between time steps, which improves imputation accuracy and training speed. Meanwhile, the weighted-combination design enables SAITS to dynamically assign weights to the learned representations from two DMSA blocks according to the attention map and the missingness information. Extensive experiments quantitatively and qualitatively demonstrate that SAITS outperforms the state-of-the-art methods on the time-series imputation task efficiently and reveal SAITS' potential to improve the learning performance of pattern recognition models on incomplete time-series data from the real world.  ( 2 min )

This work explores the problem of generating task graphs of real-world activities. Different from prior formulations, we consider a setting where text transcripts of instructional videos performing a real-world activity (e.g., making coffee) are provided and the goal is to identify the key steps relevant to the task as well as the dependency relationship between these key steps. We propose a novel task graph generation approach that combines the reasoning capabilities of instruction-tuned language models along with clustering and ranking components to generate accurate task graphs in a completely unsupervised manner. We show that the proposed approach generates more accurate task graphs compared to a supervised learning approach on tasks from the ProceL and CrossTask datasets.  ( 2 min )

In recent years fairness in machine learning (ML) has emerged as a highly active area of research and development. Most define fairness in simple terms, where fairness means reducing gaps in performance or outcomes between demographic groups while preserving as much of the accuracy of the original system as possible. This oversimplification of equality through fairness measures is troubling. Many current fairness measures suffer from both fairness and performance degradation, or "levelling down," where fairness is achieved by making every group worse off, or by bringing better performing groups down to the level of the worst off. When fairness can only be achieved by making everyone worse off in material or relational terms through injuries of stigma, loss of solidarity, unequal concern, and missed opportunities for substantive equality, something would appear to have gone wrong in translating the vague concept of 'fairness' into practice. This paper examines the causes and prevalence of levelling down across fairML, and explore possible justifications and criticisms based on philosophical and legal theories of equality and distributive justice, as well as equality law jurisprudence. We find that fairML does not currently engage in the type of measurement, reporting, or analysis necessary to justify levelling down in practice. We propose a first step towards substantive equality in fairML: "levelling up" systems by design through enforcement of minimum acceptable harm thresholds, or "minimum rate constraints," as fairness constraints. We likewise propose an alternative harms-based framework to counter the oversimplified egalitarian framing currently dominant in the field and push future discussion more towards substantive equality opportunities and away from strict egalitarianism by default. N.B. Shortened abstract, see paper for full abstract.  ( 2 min )

Data analysis require a pairwise proximity measure over objects. Recent work has extended this to situations where the distance information between objects is given as comparison results of distances between three objects (triplets). Humans find the comparison tasks much easier than the exact distance computation and such data can be easily obtained in big quantity via crowd-sourcing. In this work, we propose triplets augmentation, an efficient method to extend the triplets data by inferring the hidden implicit information form the existing data. Triplets augmentation improves the quality of kernel-based and kernel-free data analytics. We also propose a novel set of algorithms for common data analysis tasks based on triplets. These methods work directly with triplets and avoid kernel evaluations, thus are scalable to big data. We demonstrate that our methods outperform the current best-known techniques and are robust to noisy data.  ( 2 min )

In-context learning (ICL) suffers from oversensitivity to the prompt, making it unreliable in real-world scenarios. We study the sensitivity of ICL with respect to multiple perturbation types. First, we find that label bias obscures the true sensitivity, and therefore prior work may have significantly underestimated ICL sensitivity. Second, we observe a strong negative correlation between ICL sensitivity and accuracy: predictions sensitive to perturbations are less likely to be correct. Motivated by these findings, we propose \textsc{SenSel}, a few-shot selective prediction method that abstains from sensitive predictions. Experiments on ten classification datasets show that \textsc{SenSel} consistently outperforms two commonly used confidence-based and entropy-based baselines on abstention decisions.  ( 2 min )

Transformer architectures have achieved great success in solving natural language tasks, which learn strong language representations from large-scale unlabeled texts. In this paper, we seek to go further beyond and explore a new logical inductive bias for better language representation learning. Logic reasoning is known as a formal methodology to reach answers from given knowledge and facts. Inspired by such a view, we develop a novel neural architecture named FOLNet (First-Order Logic Network), to encode this new inductive bias. We construct a set of neural logic operators as learnable Horn clauses, which are further forward-chained into a fully differentiable neural architecture (FOLNet). Interestingly, we find that the self-attention module in transformers can be composed by two of our neural logic operators, which probably explains their strong reasoning performance. Our proposed FOLNet has the same input and output interfaces as other pretrained models and thus could be pretrained/finetuned by using similar losses. It also allows FOLNet to be used in a plug-and-play manner when replacing other pretrained models. With our logical inductive bias, the same set of ``logic deduction skills'' learned through pretraining are expected to be equally capable of solving diverse downstream tasks. For this reason, FOLNet learns language representations that have much stronger transfer capabilities. Experimental results on several language understanding tasks show that our pretrained FOLNet model outperforms the existing strong transformer-based approaches.  ( 2 min )

Growing materials data and data-driven informatics drastically promote the discovery and design of materials. While there are significant advancements in data-driven models, the quality of data resources is less studied despite its huge impact on model performance. In this work, we focus on data bias arising from uneven coverage of materials families in existing knowledge. Observing different diversities among crystal systems in common materials databases, we propose an information entropy-based metric for measuring this bias. To mitigate the bias, we develop an entropy-targeted active learning (ET-AL) framework, which guides the acquisition of new data to improve the diversity of underrepresented crystal systems. We demonstrate the capability of ET-AL for bias mitigation and the resulting improvement in downstream machine learning models. This approach is broadly applicable to data-driven materials discovery, including autonomous data acquisition and dataset trimming to reduce bias, as well as data-driven informatics in other scientific domains.  ( 2 min )

The formalization of existing mathematical proofs is a notoriously difficult process. Despite decades of research on automation and proof assistants, writing formal proofs remains arduous and only accessible to a few experts. While previous studies to automate formalization focused on powerful search algorithms, no attempts were made to take advantage of available informal proofs. In this work, we introduce Draft, Sketch, and Prove (DSP), a method that maps informal proofs to formal proof sketches, and uses the sketches to guide an automated prover by directing its search to easier sub-problems. We investigate two relevant setups where informal proofs are either written by humans or generated by a language model. Our experiments and ablation studies show that large language models are able to produce well-structured formal sketches that follow the same reasoning steps as the informal proofs. Guiding an automated prover with these sketches enhances its performance from 20.9% to 39.3% on a collection of mathematical competition problems.  ( 2 min )

Understanding extreme events and their probability is key for the study of climate change impacts, risk assessment, adaptation, and the protection of living beings. Forecasting the occurrence probability of extreme heatwaves is a primary challenge for risk assessment and attribution, but also for fundamental studies about processes, dataset and model validation, and climate change studies. In this work we develop a methodology to build forecasting models which are based on convolutional neural networks, trained on extremely long climate model outputs. We demonstrate that neural networks have positive predictive skills, with respect to random climatological forecasts, for the occurrence of long-lasting 14-day heatwaves over France, up to 15 days ahead of time for fast dynamical drivers (500 hPa geopotential height fields), and also at much longer lead times for slow physical drivers (soil moisture). This forecast is made seamlessly in time and space, for fast hemispheric and slow local drivers. We find that the neural network selects extreme heatwaves associated with a North-Hemisphere wavenumber-3 pattern. The main scientific message is that most of the time, training neural networks for predicting extreme heatwaves occurs in a regime of lack of data. We suggest that this is likely to be the case for most other applications to large scale atmosphere and climate phenomena. For instance, using one hundred years-long training sets, a regime of drastic lack of data, leads to severely lower predictive skills and general inability to extract useful information available in the 500 hPa geopotential height field at a hemispheric scale in contrast to the dataset of several thousand years long. We discuss perspectives for dealing with the lack of data regime, for instance rare event simulations and how transfer learning may play a role in this latter task.  ( 3 min )

In reinforcement learning (RL), it is easier to solve a task if given a good representation. While deep RL should automatically acquire such good representations, prior work often finds that learning representations in an end-to-end fashion is unstable and instead equip RL algorithms with additional representation learning parts (e.g., auxiliary losses, data augmentation). How can we design RL algorithms that directly acquire good representations? In this paper, instead of adding representation learning parts to an existing RL algorithm, we show (contrastive) representation learning methods can be cast as RL algorithms in their own right. To do this, we build upon prior work and apply contrastive representation learning to action-labeled trajectories, in such a way that the (inner product of) learned representations exactly corresponds to a goal-conditioned value function. We use this idea to reinterpret a prior RL method as performing contrastive learning, and then use the idea to propose a much simpler method that achieves similar performance. Across a range of goal-conditioned RL tasks, we demonstrate that contrastive RL methods achieve higher success rates than prior non-contrastive methods, including in the offline RL setting. We also show that contrastive RL outperforms prior methods on image-based tasks, without using data augmentation or auxiliary objectives.  ( 2 min )

One of the main methods for semantic interpretation of text is mapping it into a vector in some embedding space. Such vectors can then be used for a variety of text processing tasks. Recently, most embedding spaces are a product of training large language models. One major drawback of this type of representation is its incomprehensibility to humans. Understanding the embedding space is crucial for several important needs, including the need to explain the decision of a system that uses the embedding, the need to debug the embedding method and compare it to alternatives, and the need to detect biases hidden in the model. In this paper, we present a novel method of transforming any embedding space into a comprehensible conceptual space. We first present an algorithm for deriving a conceptual space with dynamic on-demand granularity. We then show a method for transferring any vector in the original incomprehensible space to an understandable vector in the conceptual space. We combine human tests with cross-model tests to show that the conceptualized vectors indeed represent the semantics of the original vectors. We also show how the conceptualized vectors can be used for various tasks including identifying weaknesses in the semantics underlying the original spaces and differences in the semantics of alternative models.  ( 2 min )

Machine learning models are often personalized with categorical attributes that are protected, sensitive, self-reported, or costly to acquire. In this work, we show models that are personalized with group attributes can reduce performance at a group level. We propose formal conditions to ensure the "fair use" of group attributes in prediction tasks by training one additional model -- i.e., collective preference guarantees to ensure that each group who provides personal data will receive a tailored gain in performance in return. We present sufficient conditions to ensure fair use in empirical risk minimization and characterize failure modes that lead to fair use violations due to standard practices in model development and deployment. We present a comprehensive empirical study of fair use in clinical prediction tasks. Our results demonstrate the prevalence of fair use violations in practice and illustrate simple interventions to mitigate their harm.  ( 2 min )

While humans can extract information from unstructured text with high precision and recall, this is often too time-consuming to be practical. Automated approaches, on the other hand, produce nearly-immediate results, but may not be reliable enough for high-stakes applications where precision is essential. In this work, we consider the benefits and drawbacks of various human-only, human-machine, and machine-only information extraction approaches. We argue for the utility of a human-in-the-loop approach in applications where high precision is required, but purely manual extraction is infeasible. We present a framework and an accompanying tool for information extraction using weak-supervision labelling with human validation. We demonstrate our approach on three criminal justice datasets. We find that the combination of computer speed and human understanding yields precision comparable to manual annotation while requiring only a fraction of time, and significantly outperforms fully automated baselines in terms of precision.  ( 2 min )

In this work, we demonstrate the offline FPGA realization of both recurrent and feedforward neural network (NN)-based equalizers for nonlinearity compensation in coherent optical transmission systems. First, we present a realization pipeline showing the conversion of the models from Python libraries to the FPGA chip synthesis and implementation. Then, we review the main alternatives for the hardware implementation of nonlinear activation functions. The main results are divided into three parts: a performance comparison, an analysis of how activation functions are implemented, and a report on the complexity of the hardware. The performance in Q-factor is presented for the cases of bidirectional long-short-term memory coupled with convolutional NN (biLSTM + CNN) equalizer, CNN equalizer, and standard 1-StpS digital back-propagation (DBP) for the simulation and experiment propagation of a single channel dual-polarization (SC-DP) 16QAM at 34 GBd along 17x70km of LEAF. The biLSTM+CNN equalizer provides a similar result to DBP and a 1.7 dB Q-factor gain compared with the chromatic dispersion compensation baseline in the experimental dataset. After that, we assess the Q-factor and the impact of hardware utilization when approximating the activation functions of NN using Taylor series, piecewise linear, and look-up table (LUT) approximations. We also show how to mitigate the approximation errors with extra training and provide some insights into possible gradient problems in the LUT approximation. Finally, to evaluate the complexity of hardware implementation to achieve 200G and 400G throughput, fixed-point NN-based equalizers with approximated activation functions are developed and implemented in an FPGA.  ( 3 min )

The model-X conditional randomization test is a generic framework for conditional independence testing, unlocking new possibilities to discover features that are conditionally associated with a response of interest while controlling type-I error rates. An appealing advantage of this test is that it can work with any machine learning model to design powerful test statistics. In turn, the common practice in the model-X literature is to form a test statistic using machine learning models, trained to maximize predictive accuracy with the hope to attain a test with good power. However, the ideal goal here is to drive the model (during training) to maximize the power of the test, not merely the predictive accuracy. In this paper, we bridge this gap by introducing, for the first time, novel model-fitting schemes that are designed to explicitly improve the power of model-X tests. This is done by introducing a new cost function that aims at maximizing the test statistic used to measure violations of conditional independence. Using synthetic and real data sets, we demonstrate that the combination of our proposed loss function with various base predictive models (lasso, elastic net, and deep neural networks) consistently increases the number of correct discoveries obtained, while maintaining type-I error rates under control.  ( 2 min )

Applying deep learning concepts from image detection and graph theory has greatly advanced protein-ligand binding affinity prediction, a challenge with enormous ramifications for both drug discovery and protein engineering. We build upon these advances by designing a novel deep learning architecture consisting of a 3-dimensional convolutional neural network utilizing channel-wise attention and two graph convolutional networks utilizing attention-based aggregation of node features. HAC-Net (Hybrid Attention-Based Convolutional Neural Network) obtains state-of-the-art results on the PDBbind v.2016 core set, the most widely recognized benchmark in the field. We extensively assess the generalizability of our model using multiple train-test splits, each of which maximizes differences between either protein structures, protein sequences, or ligand extended-connectivity fingerprints of complexes in the training and test sets. Furthermore, we perform 10-fold cross-validation with a similarity cutoff between SMILES strings of ligands in the training and test sets, and also evaluate the performance of HAC-Net on lower-quality data. We envision that this model can be extended to a broad range of supervised learning problems related to structure-based biomolecular property prediction. All of our software is available as open source at https://github.com/gregory-kyro/HAC-Net/, and the HACNet Python package is available through PyPI.  ( 2 min )

Facial nerve paresis is a severe complication that arises post-head and neck surgery; This results in articulation problems, facial asymmetry, and severe problems in non-verbal communication. To overcome the side effects of post-surgery facial paralysis, rehabilitation requires which last for several weeks. This paper discusses an unsupervised approach to rehabilitating patients who have temporary facial paralysis due to damage in mimetic muscles. The work aims to make the rehabilitation process objective compared to the current subjective approach, such as House-Brackmann (HB) scale. Also, the approach will assist clinicians by reducing their workload in assessing the improvement during rehabilitation. This paper focuses on the clustering approach to monitor the rehabilitation process. We compare the results obtained from different clustering algorithms on various forms of the same data set, namely dynamic form, data expressed as functional data using B-spline basis expansion, and by finding the functional principal components of the functional data. The study contains data set of 85 distinct patients with 120 measurements obtained using a Kinect stereo-vision camera. The method distinguish effectively between patients with the least and greatest degree of facial paralysis, however patients with adjacent degrees of paralysis provide some challenges. In addition, we compared the cluster results to the HB scale outputs.  ( 2 min )

Differential games, in particular two-player sequential zero-sum games (a.k.a. minimax optimization), have been an important modeling tool in applied science and received renewed interest in machine learning due to many recent applications, such as adversarial training, generative models and reinforcement learning. However, existing theory mostly focuses on convex-concave functions with few exceptions. In this work, we propose two novel Newton-type algorithms for nonconvex-nonconcave minimax optimization. We prove their local convergence at strict local minimax points, which are surrogates of global solutions. We argue that our Newton-type algorithms nicely complement existing ones in that (a) they converge faster to strict local minimax points; (b) they are much more effective when the problem is ill-conditioned; (c) their computational complexity remains similar. We verify the effectiveness of our Newton-type algorithms through experiments on training GANs which are intrinsically nonconvex and ill-conditioned. Our code is available at https://github.com/watml/min-max-2nd-order.  ( 2 min )

Bayesian neural network (BNN) allows for uncertainty quantification in prediction, offering an advantage over regular neural networks that has not been explored in the differential privacy (DP) framework. We fill this important gap by leveraging recent development in Bayesian deep learning and privacy accounting to offer a more precise analysis of the trade-off between privacy and accuracy in BNN. We propose three DP-BNNs that characterize the weight uncertainty for the same network architecture in distinct ways, namely DP-SGLD (via the noisy gradient method), DP-BBP (via changing the parameters of interest) and DP-MC Dropout (via the model architecture). Interestingly, we show a new equivalence between DP-SGD and DP-SGLD, implying that some non-Bayesian DP training naturally allows for uncertainty quantification. However, the hyperparameters such as learning rate and batch size, can have different or even opposite effects in DP-SGD and DP-SGLD. Extensive experiments are conducted to compare DP-BNNs, in terms of privacy guarantee, prediction accuracy, uncertainty quantification, calibration, computation speed, and generalizability to network architecture. As a result, we observe a new tradeoff between the privacy and the reliability. When compared to non-DP and non-Bayesian approaches, DP-SGLD is remarkably accurate under strong privacy guarantee, demonstrating the great potential of DP-BNN in real-world tasks.  ( 2 min )

The emergence of Quantum Machine Learning (QML) to enhance traditional classical learning methods has seen various limitations to its realisation. There is therefore an imperative to develop quantum models with unique model hypotheses to attain expressional and computational advantage. In this work we extend the linear quantum support vector machine (QSVM) with kernel function computed through quantum kernel estimation (QKE), to form a decision tree classifier constructed from a decision directed acyclic graph of QSVM nodes - the ensemble of which we term the quantum random forest (QRF). To limit overfitting, we further extend the model to employ a low-rank Nystr\"{o}m approximation to the kernel matrix. We provide generalisation error bounds on the model and theoretical guarantees to limit errors due to finite sampling on the Nystr\"{o}m-QKE strategy. In doing so, we show that we can achieve lower sampling complexity when compared to QKE. We numerically illustrate the effect of varying model hyperparameters and finally demonstrate that the QRF is able obtain superior performance over QSVMs, while also requiring fewer kernel estimations.  ( 2 min )

We adopt the interpretability offered by a parametric, Hawkes-process-inspired conditional probability mass function for the marks and apply variational inference techniques to derive a general and scalable inferential framework for marked point processes. The framework can handle both exchangeable and non-exchangeable event sequences with minimal tuning and without any pre-training. This contrasts with many parametric and non-parametric state-of-the-art methods that typically require pre-training and/or careful tuning, and can only handle exchangeable event sequences. The framework's competitive computational and predictive performance against other state-of-the-art methods are illustrated through real data experiments. Its attractiveness for large-scale applications is demonstrated through a case study involving all events occurring in an English Premier League season.  ( 2 min )

The task of causal representation learning aims to uncover latent higher-level causal representations that affect lower-level observations. Identifying true latent causal representations from observed data, while allowing instantaneous causal relations among latent variables, remains a challenge, however. To this end, we start from the analysis of three intrinsic properties in identifying latent space from observations: transitivity, permutation indeterminacy, and scaling indeterminacy. We find that transitivity acts as a key role in impeding the identifiability of latent causal representations. To address the unidentifiable issue due to transitivity, we introduce a novel identifiability condition where the underlying latent causal model satisfies a linear-Gaussian model, in which the causal coefficients and the distribution of Gaussian noise are modulated by an additional observed variable. Under some mild assumptions, we can show that the latent causal representations can be identified up to trivial permutation and scaling. Furthermore, based on this theoretical result, we propose a novel method, termed Structural caUsAl Variational autoEncoder, which directly learns latent causal representations and causal relationships among them, together with the mapping from the latent causal variables to the observed ones. We show that the proposed method learns the true parameters asymptotically. Experimental results on synthetic and real data demonstrate the identifiability and consistency results and the efficacy of the proposed method in learning latent causal representations.  ( 2 min )

While enabling accelerated acquisition and improved reconstruction accuracy, current deep MRI reconstruction networks are typically supervised, require fully sampled data, and are limited to Cartesian sampling patterns. These factors limit their practical adoption as fully-sampled MRI is prohibitively time-consuming to acquire clinically. Further, non-Cartesian sampling patterns are particularly desirable as they are more amenable to acceleration and show improved motion robustness. To this end, we present a fully self-supervised approach for accelerated non-Cartesian MRI reconstruction which leverages self-supervision in both k-space and image domains. In training, the undersampled data are split into disjoint k-space domain partitions. For the k-space self-supervision, we train a network to reconstruct the input undersampled data from both the disjoint partitions and from itself. For the image-level self-supervision, we enforce appearance consistency obtained from the original undersampled data and the two partitions. Experimental results on our simulated multi-coil non-Cartesian MRI dataset demonstrate that DDSS can generate high-quality reconstruction that approaches the accuracy of the fully supervised reconstruction, outperforming previous baseline methods. Finally, DDSS is shown to scale to highly challenging real-world clinical MRI reconstruction acquired on a portable low-field (0.064 T) MRI scanner with no data available for supervised training while demonstrating improved image quality as compared to traditional reconstruction, as determined by a radiologist study.  ( 2 min )

Diversity of the features extracted by deep neural networks is important for enhancing the model generalization ability and accordingly its performance in different learning tasks. Facial expression recognition in the wild has attracted interest in recent years due to the challenges existing in this area for extracting discriminative and informative features from occluded images in real-world scenarios. In this paper, we propose a mechanism to diversify the features extracted by CNN layers of state-of-the-art facial expression recognition architectures for enhancing the model capacity in learning discriminative features. To evaluate the effectiveness of the proposed approach, we incorporate this mechanism in two state-of-the-art models to (i) diversify local/global features in an attention-based model and (ii) diversify features extracted by different learners in an ensemble-based model. Experimental results on three well-known facial expression recognition in-the-wild datasets, AffectNet, FER+, and RAF-DB, show the effectiveness of our method, achieving the state-of-the-art performance of 89.99% on RAF-DB, 89.34% on FER+ and the competitive accuracy of 60.02% on AffectNet dataset.  ( 2 min )

With limited storage/bandwidth resources, input images to Computer Vision (CV) applications that use Deep Neural Networks (DNNs) are often encoded with JPEG that is tailored to Human Vision (HV). This paper presents Deep Selector-JPEG, an adaptive JPEG compression method that targets image classification while satisfying HV criteria. For each image, Deep Selector-JPEG selects adaptively a Quality Factor (QF) to compress the image so that a good trade-off between the Compression Ratio (CR) and DNN classifier Accuracy (Rate-Accuracy performance) can be achieved over a set of images for a variety of DNN classifiers while the MS-SSIM of such compressed image is greater than a threshold value predetermined by HV with a high probability. Deep Selector-JPEG is designed via light-weighted or heavy-weighted selector architectures. Experimental results show that in comparison with JPEG at the same CR, Deep Selector-JPEG achieves better Rate-Accuracy performance over the ImageNet validation set for all tested DNN classifiers with gains in classification accuracy between 0.2% and 1% at the same CRs while satisfying HV constraints. Deep Selector-JPEG can also roughly provide the original classification accuracy at higher CRs.  ( 2 min )

This is an exploratory study that discovers the current image quantization (vector quantization) do not satisfy translation equivariance in the quantized space due to aliasing. Instead of focusing on anti-aliasing, we propose a simple yet effective way to achieve translation-equivariant image quantization by enforcing orthogonality among the codebook embeddings. To explore the advantages of translation-equivariant image quantization, we conduct three proof-of-concept experiments with a carefully controlled dataset: (1) text-to-image generation, where the quantized image indices are the target to predict, (2) image-to-text generation, where the quantized image indices are given as a condition, (3) using a smaller training set to analyze sample efficiency. From the strictly controlled experiments, we empirically verify that the translation-equivariant image quantizer improves not only sample efficiency but also the accuracy over VQGAN up to +11.9% in text-to-image generation and +3.9% in image-to-text generation.  ( 2 min )

We present a new challenging dataset, CPPE - 5 (Medical Personal Protective Equipment), with the goal to allow the study of subordinate categorization of medical personal protective equipments, which is not possible with other popular data sets that focus on broad-level categories (such as PASCAL VOC, ImageNet, Microsoft COCO, OpenImages, etc). To make it easy for models trained on this dataset to be used in practical scenarios in complex scenes, our dataset mainly contains images that show complex scenes with several objects in each scene in their natural context. The image collection for this dataset focuses on: obtaining as many non-iconic images as possible and making sure all the images are real-life images, unlike other existing datasets in this area. Our dataset includes 5 object categories (coveralls, face shields, gloves, masks, and goggles), and each image is annotated with a set of bounding boxes and positive labels. We present a detailed analysis of the dataset in comparison to other popular broad category datasets as well as datasets focusing on personal protective equipments, we also find that at present there exist no such publicly available datasets. Finally, we also analyze performance and compare model complexities on baseline and state-of-the-art models for bounding box results. Our code, data, and trained models are available at https://git.io/cppe5-dataset.  ( 2 min )

Despite a plethora of proposed theories, understanding why deep neural networks are susceptible to adversarial attacks remains an open question. A promising recent strand of research investigates adversarial attacks within the training data distribution, providing a more stringent and worrisome definition for these attacks. These theories posit that the key issue is that in high dimensional datasets, most data points are close to the ground-truth class boundaries. This has been shown in theory for some simple data distributions, but it is unclear if this theory is relevant in practice. Here, we demonstrate the existence of in-distribution adversarial examples for object recognition. This result provides evidence supporting theories attributing adversarial examples to the proximity of data to ground-truth class boundaries, and calls into question other theories which do not account for this more stringent definition of adversarial attacks. These experiments are enabled by our novel gradient-free, evolutionary strategies (ES) based approach for finding in-distribution adversarial examples in 3D rendered objects, which we call CMA-Search.  ( 2 min )

Analyzing radar signals from complex Electronic Warfare (EW) environment is a non-trivial task.However, in the real world, the changing EW environment results in inconsistent signal distribution, such as the pulse repetition interval (PRI) mismatch between different detected scenes.In this paper, we propose a novel domain generalization framework to improve the adaptability of signal recognition in changing environments.Specifically, we first design several noise generators to simulate varied scenes. Different from conventional augmentation methods, our introduced generators carefully enhance the diversity of the detected signals and meanwhile maintain the semantic features of the signals. Moreover, we propose a signal scene domain classifier that works in the manner of adversarial learning. The proposed classifier guarantees the signal predictor to generalize to different scenes. Extensive comparative experiments prove the proposed method's superiority.  ( 2 min )

Recommender systems play an important role in many content platforms. While most recommendation research is dedicated to designing better models to improve user experience, we found that research on stabilizing the training for such models is severely under-explored. As recommendation models become larger and more sophisticated, they are more susceptible to training instability issues, \emph{i.e.}, loss divergence, which can make the model unusable, waste significant resources and block model developments. In this paper, we share our findings and best practices we learned for improving the training stability of a real-world multitask ranking model for YouTube recommendations. We show some properties of the model that lead to unstable training and conjecture on the causes. Furthermore, based on our observations of training dynamics near the point of training instability, we hypothesize why existing solutions would fail, and propose a new algorithm to mitigate the limitations of existing solutions. Our experiments on YouTube production dataset show the proposed algorithm can significantly improve training stability while not compromising convergence, comparing with several commonly used baseline methods.  ( 2 min )

We survey recent work on machine learning (ML) techniques for selecting cutting planes (or cuts) in mixed-integer linear programming (MILP). Despite the availability of various classes of cuts, the task of choosing a set of cuts to add to the linear programming (LP) relaxation at a given node of the branch-and-bound (B&B) tree has defied both formal and heuristic solutions to date. ML offers a promising approach for improving the cut selection process by using data to identify promising cuts that accelerate the solution of MILP instances. This paper presents an overview of the topic, highlighting recent advances in the literature, common approaches to data collection, evaluation, and ML model architectures. We analyze the empirical results in the literature in an attempt to quantify the progress that has been made and conclude by suggesting avenues for future research.  ( 2 min )

Multimodal machine learning is a vibrant multi-disciplinary research field that aims to design computer agents with intelligent capabilities such as understanding, reasoning, and learning through integrating multiple communicative modalities, including linguistic, acoustic, visual, tactile, and physiological messages. With the recent interest in video understanding, embodied autonomous agents, text-to-image generation, and multisensor fusion in application domains such as healthcare and robotics, multimodal machine learning has brought unique computational and theoretical challenges to the machine learning community given the heterogeneity of data sources and the interconnections often found between modalities. However, the breadth of progress in multimodal research has made it difficult to identify the common themes and open questions in the field. By synthesizing a broad range of application domains and theoretical frameworks from both historical and recent perspectives, this paper is designed to provide an overview of the computational and theoretical foundations of multimodal machine learning. We start by defining three key principles of modality heterogeneity, connections, and interactions that have driven subsequent innovations, and propose a taxonomy of six core technical challenges: representation, alignment, reasoning, generation, transference, and quantification covering historical and recent trends. Recent technical achievements will be presented through the lens of this taxonomy, allowing researchers to understand the similarities and differences across new approaches. We end by motivating several open problems for future research as identified by our taxonomy.  ( 2 min )

The use of AI in healthcare is designed to improve care delivery and augment the decisions of providers to enhance patient outcomes. When deployed in clinical settings, the interaction between providers and AI is a critical component for measuring and understanding the effectiveness of these digital tools on broader health outcomes. Even in cases where AI algorithms have high diagnostic accuracy, healthcare providers often still rely on their experience and sometimes gut feeling to make a final decision. Other times, providers rely unquestioningly on the outputs of the AI models, which leads to a concern about over-reliance on the technology. The purpose of this research was to understand how reliant drug shop dispensers were on AI-powered technologies when determining a differential diagnosis for a presented clinical case vignette. We explored how the drug dispensers responded to technology that is framed as always correct in an attempt to measure whether they begin to rely on it without any critical thought of their own. We found that dispensers relied on the decision made by the AI 25 percent of the time, even when the AI provided no explanation for its decision.  ( 2 min )

Dynamic algorithm selection aims to exploit the complementarity of multiple optimization algorithms by switching between them during the search. While these kinds of dynamic algorithms have been shown to have potential to outperform their component algorithms, it is still unclear how this potential can best be realized. One promising approach is to make use of landscape features to enable a per-run trajectory-based switch. Here, the samples seen by the first algorithm are used to create a set of features which describe the landscape from the perspective of the algorithm. These features are then used to predict what algorithm to switch to. In this work, we extend this per-run trajectory-based approach to consider a wide variety of potential points at which to perform the switch. We show that using a sliding window to capture the local landscape features contains information which can be used to predict whether a switch at that point would be beneficial to future performance. By analyzing the resulting models, we identify what features are most important to these predictions. Finally, by evaluating the importance of features and comparing these values between multiple algorithms, we show clear differences in the way the second algorithm interacts with the local landscape features found before the switch.  ( 2 min )

Thompson sampling (TS) is a popular heuristic for action selection, but it requires sampling from a posterior distribution. Unfortunately, this can become computationally intractable in complex environments, such as those modeled using neural networks. Approximate posterior samples can produce effective actions, but only if they reasonably approximate joint predictive distributions of outputs across inputs. Notably, accuracy of marginal predictive distributions does not suffice. Epistemic neural networks (ENNs) are designed to produce accurate joint predictive distributions. We compare a range of ENNs through computational experiments that assess their performance in approximating TS across bandit and reinforcement learning environments. The results indicate that ENNs serve this purpose well and illustrate how the quality of joint predictive distributions drives performance. Further, we demonstrate that the \textit{epinet} -- a small additive network that estimates uncertainty -- matches the performance of large ensembles at orders of magnitude lower computational cost. This enables effective application of TS with computation that scales gracefully to complex environments.  ( 2 min )

Deep neural networks (DNNs) have shown exceptional performances in a wide range of tasks and have become the go-to method for problems requiring high-level predictive power. There has been extensive research on how DNNs arrive at their decisions, however, the inherently uninterpretable networks remain up to this day mostly unobservable "black boxes". In recent years, the field has seen a push towards interpretable neural networks, such as the visually interpretable Neural Additive Models (NAMs). We propose a further step into the direction of intelligibility beyond the mere visualization of feature effects and propose Structural Neural Additive Models (SNAMs). A modeling framework that combines classical and clearly interpretable statistical methods with the predictive power of neural applications. Our experiments validate the predictive performances of SNAMs. The proposed framework performs comparable to state-of-the-art fully connected DNNs and we show that SNAMs can even outperform NAMs while remaining inherently more interpretable.  ( 2 min )

We consider ill-posed inverse problems where the forward operator $T$ is unknown, and instead we have access to training data consisting of functions $f_i$ and their noisy images $Tf_i$. This is a practically relevant and challenging problem which current methods are able to solve only under strong assumptions on the training set. Here we propose a new method that requires minimal assumptions on the data, and prove reconstruction rates that depend on the number of training points and the noise level. We show that, in the regime of "many" training data, the method is minimax optimal. The proposed method employs a type of convolutional neural networks (U-nets) and empirical risk minimization in order to "fit" the unknown operator. In a nutshell, our approach is based on two ideas: the first is to relate U-nets to multiscale decompositions such as wavelets, thereby linking them to the existing theory, and the second is to use the hierarchical structure of U-nets and the low number of parameters of convolutional neural nets to prove entropy bounds that are practically useful. A significant difference with the existing works on neural networks in nonparametric statistics is that we use them to approximate operators and not functions, which we argue is mathematically more natural and technically more convenient.  ( 2 min )

There is a growing need for models that are interpretable and have reduced energy and computational cost (e.g., in health care analytics and federated learning). Examples of algorithms to train such models include logistic regression and boosting. However, one challenge facing these algorithms is that they provably suffer from label noise; this has been attributed to the joint interaction between oft-used convex loss functions and simpler hypothesis classes, resulting in too much emphasis being placed on outliers. In this work, we use the margin-based $\alpha$-loss, which continuously tunes between canonical convex and quasi-convex losses, to robustly train simple models. We show that the $\alpha$ hyperparameter smoothly introduces non-convexity and offers the benefit of "giving up" on noisy training examples. We also provide results on the Long-Servedio dataset for boosting and a COVID-19 survey dataset for logistic regression, highlighting the efficacy of our approach across multiple relevant domains.  ( 2 min )

Autonomous vehicles currently suffer from a time-inefficient driving style caused by uncertainty about human behavior in traffic interactions. Accurate and reliable prediction models enabling more efficient trajectory planning could make autonomous vehicles more assertive in such interactions. However, the evaluation of such models is commonly oversimplistic, ignoring the asymmetric importance of prediction errors and the heterogeneity of the datasets used for testing. We examine the potential of recasting interactions between vehicles as gap acceptance scenarios and evaluating models in this structured environment. To that end, we develop a framework aiming to facilitate the evaluation of any model, by any metric, and in any scenario. We then apply this framework to state-of-the-art prediction models, which all show themselves to be unreliable in the most safety-critical situations.  ( 2 min )

Supervised classification techniques use training samples to learn a classification rule with small expected 0-1 loss (error probability). Conventional methods enable tractable learning and provide out-of-sample generalization by using surrogate losses instead of the 0-1 loss and considering specific families of rules (hypothesis classes). This paper presents minimax risk classifiers (MRCs) that minize the worst-case 0-1 loss with respect to uncertainty sets of distributions that can include the underlying distribution, with a tunable confidence. We show that MRCs can provide tight performance guarantees at learning and are strongly universally consistent using feature mappings given by characteristic kernels. The paper also proposes efficient optimization techniques for MRC learning and shows that the methods presented can provide accurate classification together with tight performance guarantees in practice.  ( 2 min )

Hyperspectral images taken from aircraft or satellites contain information from hundreds of spectral bands, within which lie latent lower-dimensional structures that can be exploited for classifying vegetation and other materials. A disadvantage of working with hyperspectral images is that, due to an inherent trade-off between spectral and spatial resolution, they have a relatively coarse spatial scale, meaning that single pixels may correspond to spatial regions containing multiple materials. This article introduces the Diffusion and Volume maximization-based Image Clustering (D-VIC) algorithm for unsupervised material clustering to address this problem. By directly incorporating pixel purity into its labeling procedure, D-VIC gives greater weight to pixels that correspond to a spatial region containing just a single material. D-VIC is shown to outperform comparable state-of-the-art methods in extensive experiments on a range of hyperspectral images, including land-use maps and highly mixed forest health surveys (in the context of ash dieback disease), implying that it is well-equipped for unsupervised material clustering of spectrally-mixed hyperspectral datasets.  ( 2 min )

Inspired by the numerical solution of ordinary differential equations, in this paper we propose a novel Reservoir Computing (RC) model, called the Euler State Network (EuSN). The introduced approach makes use of forward Euler discretization and antisymmetric recurrent matrices to design reservoir dynamics that are both stable and non-dissipative by construction. Our mathematical analysis shows that the resulting model is biased towards unitary effective spectral radius and zero local Lyapunov exponents, intrinsically operating at the edge of stability. Experiments on synthetic tasks indicate the marked superiority of the proposed approach, compared to standard RC models, in tasks requiring long-term memorization skills. Furthermore, results on real-world time series classification benchmarks point out that EuSN is capable of matching (or even surpassing) the level of accuracy of trainable Recurrent Neural Networks, while allowing up to 100-fold savings in computation time and energy consumption.  ( 2 min )

Reinforcement learning (RL) has been extensively researched for enhancing human-environment interactions in various human-centric tasks, including e-learning and healthcare. Since deploying and evaluating policies online are high-stakes in such tasks, off-policy evaluation (OPE) is crucial for inducing effective policies. In human-centric environments, however, OPE is challenging because the underlying state is often unobservable, while only aggregate rewards can be observed (students' test scores or whether a patient is released from the hospital eventually). In this work, we propose a human-centric OPE (HOPE) to handle partial observability and aggregated rewards in such environments. Specifically, we reconstruct immediate rewards from the aggregated rewards considering partial observability to estimate expected total returns. We provide a theoretical bound for the proposed method, and we have conducted extensive experiments in real-world human-centric tasks, including sepsis treatments and an intelligent tutoring system. Our approach reliably predicts the returns of different policies and outperforms state-of-the-art benchmarks using both standard validation methods and human-centric significance tests.  ( 2 min )

Pseudo Labeling is a technique used to improve the performance of semi-supervised Graph Neural Networks (GNNs) by generating additional pseudo-labels based on confident predictions. However, the quality of generated pseudo-labels has long been a concern due to the sensitivity of the classification objective to given labels. To avoid the untrustworthy classification supervision indicating ``a node belongs to a specific class,'' we favor the fault-tolerant contrasting supervision demonstrating ``two nodes do not belong to the same class.'' Thus, the problem of generating high-quality pseudo-labels is then transformed into a relaxed version, i.e., finding reliable contrasting pairs. To achieve this, we propose a general framework for GNNs, termed Pseudo Contrastive Learning (PCL). It separates two nodes whose positive and negative pseudo-labels target the same class. To incorporate topological knowledge into learning, we devise a topologically weighted contrastive loss that spends more effort separating negative pairs with smaller topological distances. Additionally, to alleviate the heavy reliance on data augmentation, we augment nodes only by applying dropout to the encoded representations. Theoretically, we prove that PCL with the lightweight augmentation works like a representation regularizer to effectively learn separation between negative pairs. Experimentally, we employ PCL on various models, which consistently outperform their counterparts using other popular general techniques on five real-world graphs.

In stochastic contextual bandit problems, an agent sequentially makes actions from a time-dependent action set based on past experience to minimize the cumulative regret. Like many other machine learning algorithms, the performance of bandits heavily depends on their multiple hyperparameters, and theoretically derived parameter values may lead to unsatisfactory results in practice. Moreover, it is infeasible to use offline tuning methods like cross validation to choose hyperparameters under the bandit environment, as the decisions should be made in real time. To address this challenge, we propose the first online continuous hyperparameter tuning framework for contextual bandits to learn the optimal parameter configuration within a search space on the fly. Specifically, we use a double-layer bandit framework named CDT (Continuous Dynamic Tuning) and formulate the hyperparameter optimization as a non-stationary continuum-armed bandit, where each arm represents a combination of hyperparameters, and the corresponding reward is the algorithmic result. For the top layer, we propose the Zooming TS algorithm that utilizes Thompson Sampling (TS) for exploration and a restart technique to get around the switching environment. The proposed CDT framework can be easily used to tune contextual bandit algorithms without any pre-specified candidate set for hyperparameters. We further show that it could achieve sublinear regret in theory and performs consistently better on both synthetic and real datasets in practice.  ( 2 min )

Meta-learning aims to extract useful inductive biases from a set of related datasets. In Bayesian meta-learning, this is typically achieved by constructing a prior distribution over neural network parameters. However, specifying families of computationally viable prior distributions over the high-dimensional neural network parameters is difficult. As a result, existing approaches resort to meta-learning restrictive diagonal Gaussian priors, severely limiting their expressiveness and performance. To circumvent these issues, we approach meta-learning through the lens of functional Bayesian neural network inference, which views the prior as a stochastic process and performs inference in the function space. Specifically, we view the meta-training tasks as samples from the data-generating process and formalize meta-learning as empirically estimating the law of this stochastic process. Our approach can seamlessly acquire and represent complex prior knowledge by meta-learning the score function of the data-generating process marginals instead of parameter space priors. In a comprehensive benchmark, we demonstrate that our method achieves state-of-the-art performance in terms of predictive accuracy and substantial improvements in the quality of uncertainty estimates.

Natural Language-conditioned reinforcement learning (RL) enables the agents to follow human instructions. Previous approaches generally implemented language-conditioned RL by providing human instructions in natural language (NL) and training a following policy. In this outside-in approach, the policy needs to comprehend the NL and manage the task simultaneously. However, the unbounded NL examples often bring much extra complexity for solving concrete RL tasks, which can distract policy learning from completing the task. To ease the learning burden of the policy, we investigate an inside-out scheme for natural language-conditioned RL by developing a task language (TL) that is task-related and unique. The TL is used in RL to achieve highly efficient and effective policy training. Besides, a translator is trained to translate NL into TL. We implement this scheme as TALAR (TAsk Language with predicAte Representation) that learns multiple predicates to model object relationships as the TL. Experiments indicate that TALAR not only better comprehends NL instructions but also leads to a better instruction-following policy that improves 13.4% success rate and adapts to unseen expressions of NL instruction. The TL can also be an effective task abstraction, naturally compatible with hierarchical RL.  ( 2 min )

Several websites improve their security and avoid dangerous Internet attacks by implementing CAPTCHAs (Completely Automated Public Turing test to tell Computers and Humans Apart), a type of verification to identify whether the end-user is human or a robot. The most prevalent type of CAPTCHA is text-based, designed to be easily recognized by humans while being unsolvable towards machines or robots. However, as deep learning technology progresses, development of convolutional neural network (CNN) models that predict text-based CAPTCHAs becomes easier. The purpose of this research is to investigate the flaws and vulnerabilities in the CAPTCHA generating systems in order to design more resilient CAPTCHAs. To achieve this, we created CapNet, a Convolutional Neural Network. The proposed platform can evaluate both numerical and alphanumerical CAPTCHAs  ( 2 min )

Self-supervised learning (SSL) learns high-quality representations from large pools of unlabeled training data. As datasets grow larger, it becomes crucial to identify the examples that contribute the most to learning such representations. This enables efficient SSL by reducing the volume of data required for learning high-quality representations. Nevertheless, quantifying the value of examples for SSL has remained an open question. In this work, we address this for the first time, by proving that examples that contribute the most to contrastive SSL are those that have the most similar augmentations to other examples, in expectation. We provide rigorous guarantees for the generalization performance of SSL on such subsets. Empirically, we discover, perhaps surprisingly, the subsets that contribute the most to SSL are those that contribute the least to supervised learning. Through extensive experiments, we show that our subsets outperform random subsets by more than 3% on CIFAR100, CIFAR10, and STL10. Interestingly, we also find that we can safely exclude 20% of examples from CIFAR100 and 40% from STL10, without affecting downstream task performance.  ( 2 min )

We investigate recent transformer networks pre-trained for automatic speech recognition for their ability to detect speaker and language changes in speech. We do this by simply adding speaker (change) or language targets to the labels. For Wav2vec2 pre-trained networks, we also investigate if the representation for the speaker change symbol can be conditioned to capture speaker identity characteristics. Using a number of constructed data sets we show that these capabilities are definitely there, with speaker recognition equal error rates of the order of 10% and language detection error rates of a few percent. We will publish the code for reproducibility.  ( 2 min )

The key to high-level cognition is believed to be the ability to systematically manipulate and compose knowledge pieces. While token-like structured knowledge representations are naturally provided in text, it is elusive how to obtain them for unstructured modalities such as scene images. In this paper, we propose a neural mechanism called Neural Systematic Binder or SysBinder for constructing a novel structured representation called Block-Slot Representation. In Block-Slot Representation, object-centric representations known as slots are constructed by composing a set of independent factor representations called blocks, to facilitate systematic generalization. SysBinder obtains this structure in an unsupervised way by alternatingly applying two different binding principles: spatial binding for spatial modularity across the full scene and factor binding for factor modularity within an object. SysBinder is a simple, deterministic, and general-purpose layer that can be applied as a drop-in module in any arbitrary neural network and on any modality. In experiments, we find that SysBinder provides significantly better factor disentanglement within the slots than the conventional object-centric methods, including, for the first time, in visually complex scene images such as CLEVR-Tex. Furthermore, we demonstrate factor-level systematicity in controlled scene generation by decoding unseen factor combinations.

We propose methods for density estimation and data synthesis using a novel form of unsupervised random forests. Inspired by generative adversarial networks, we implement a recursive procedure in which trees gradually learn structural properties of the data through alternating rounds of generation and discrimination. The method is provably consistent under minimal assumptions. Unlike classic tree-based alternatives, our approach provides smooth (un)conditional densities and allows for fully synthetic data generation. We achieve comparable or superior performance to state-of-the-art probabilistic circuits and deep learning models on various tabular data benchmarks while executing about two orders of magnitude faster on average. An accompanying $\texttt{R}$ package, $\texttt{arf}$, is available on $\texttt{CRAN}$.

We show hardness of improperly learning halfspaces in the agnostic model, both in the distribution-independent as well as the distribution-specific setting, based on the assumption that worst-case lattice problems, such as GapSVP or SIVP, are hard. In particular, we show that under this assumption there is no efficient algorithm that outputs any binary hypothesis, not necessarily a halfspace, achieving misclassfication error better than $\frac 1 2 - \gamma$ even if the optimal misclassification error is as small is as small as $\delta$. Here, $\gamma$ can be smaller than the inverse of any polynomial in the dimension and $\delta$ as small as $exp(-\Omega(\log^{1-c}(d)))$, where $0 0$ learning halfspaces up to error $OPT_{LTF} + \epsilon$ takes time at least $d^{\tilde{\Omega}(1/\epsilon^{2-\beta})}$ under the same hardness assumptions. Similarly, we show that learning degree-$\ell$ polynomial threshold functions up to error $OPT_{{PTF}_\ell} + \epsilon$ takes time at least $d^{\tilde{\Omega}(\ell^{2-\beta}/\epsilon^{2-\beta})}$. $OPT_{LTF}$ and $OPT_{{PTF}_\ell}$ denote the best error achievable by any halfspace or polynomial threshold function, respectively. Our lower bounds qualitively match algorithmic guarantees and (nearly) recover known lower bounds based on non-worst-case assumptions. Previously, such hardness results [Daniely16, DKPZ21] were based on average-case complexity assumptions or restricted to the statistical query model. Our work gives the first hardness results basing these fundamental learning problems on worst-case complexity assumptions. It is inspired by a sequence of recent works showing hardness of learning well-separated Gaussian mixtures based on worst-case lattice problems.

We propose a Langevin diffusion-based algorithm for non-convex optimization and sampling on a product manifold of spheres. Under a logarithmic Sobolev inequality, we establish a guarantee for finite iteration convergence to the Gibbs distribution in terms of Kullback--Leibler divergence. We show that with an appropriate temperature choice, the suboptimality gap to the global minimum is guaranteed to be arbitrarily small with high probability. As an application, we consider the Burer--Monteiro approach for solving a semidefinite program (SDP) with diagonal constraints, and analyze the proposed Langevin algorithm for optimizing the non-convex objective. In particular, we establish a logarithmic Sobolev inequality for the Burer--Monteiro problem when there are no spurious local minima, but under the presence saddle points. Combining the results, we then provide a global optimality guarantee for the SDP and the Max-Cut problem. More precisely, we show that the Langevin algorithm achieves $\epsilon$ accuracy with high probability in $\widetilde{\Omega}( \epsilon^{-5} )$ iterations.

In this paper, we study the problem of transferring the available Markov Decision Process (MDP) models to learn and plan efficiently in an unknown but similar MDP. We refer to it as \textit{Model Transfer Reinforcement Learning (MTRL)} problem. First, we formulate MTRL for discrete MDPs and Linear Quadratic Regulators (LQRs) with continuous state actions. Then, we propose a generic two-stage algorithm, MLEMTRL, to address the MTRL problem in discrete and continuous settings. In the first stage, MLEMTRL uses a \textit{constrained Maximum Likelihood Estimation (MLE)}-based approach to estimate the target MDP model using a set of known MDP models. In the second stage, using the estimated target MDP model, MLEMTRL deploys a model-based planning algorithm appropriate for the MDP class. Theoretically, we prove worst-case regret bounds for MLEMTRL both in realisable and non-realisable settings. We empirically demonstrate that MLEMTRL allows faster learning in new MDPs than learning from scratch and achieves near-optimal performance depending on the similarity of the available MDPs and the target MDP.

We develop a new formulation of deep learning based on the Mori-Zwanzig (MZ) formalism of irreversible statistical mechanics. The new formulation is built upon the well-known duality between deep neural networks and discrete dynamical systems, and it allows us to directly propagate quantities of interest (conditional expectations and probability density functions) forward and backward through the network by means of exact linear operator equations. Such new equations can be used as a starting point to develop new effective parameterizations of deep neural networks, and provide a new framework to study deep-learning via operator theoretic methods. The proposed MZ formulation of deep learning naturally introduces a new concept, i.e., the memory of the neural network, which plays a fundamental role in low-dimensional modeling and parameterization. By using the theory of contraction mappings, we develop sufficient conditions for the memory of the neural network to decay with the number of layers. This allows us to rigorously transform deep networks into shallow ones, e.g., by reducing the number of neurons per layer (using projection operators), or by reducing the total number of layers (using the decay property of the memory operator).

Port scanning is the process of attempting to connect to various network ports on a computing endpoint to determine which ports are open and which services are running on them. It is a common method used by hackers to identify vulnerabilities in a network or system. By determining which ports are open, an attacker can identify which services and applications are running on a device and potentially exploit any known vulnerabilities in those services. Consequently, it is important to detect port scanning because it is often the first step in a cyber attack. By identifying port scanning attempts, cybersecurity professionals can take proactive measures to protect the systems and networks before an attacker has a chance to exploit any vulnerabilities. Against this background, researchers have worked for over a decade to develop robust methods to detect port scanning. One such method revealed by a recent systematic review is the random forest supervised machine learning algorithm. The review revealed six existing studies using random forest since 2021. Unfortunately, those studies each exhibit different results, do not all use the same training and testing dataset, and only two include source code. Accordingly, the goal of this work was to reproduce the six random forest studies while addressing the apparent shortcomings. The outcomes are significant for researchers looking to explore random forest to detect port scanning and for practitioners interested in reliable technology to detect the early stages of cyber attack.

Conceptual Scaling is a useful standard tool in Formal Concept Analysis and beyond. Its mathematical theory, as elaborated in the last chapter of the FCA monograph, still has room for improvement. As it stands, even some of the basic definitions are in flux. Our contribution was triggered by the study of concept lattices for tree classifiers and the scaling methods used there. We extend some basic notions, give precise mathematical definitions for them and introduce the concept of scaling dimension. In addition to a detailed discussion of its properties, including an example, we show theoretical bounds related to the order dimension of concept lattices. We also study special subclasses, such as the ordinal and the interordinal scaling dimensions, and show for them first results and examples.

The growing use of automated decision-making in critical applications, such as crime prediction and college admission, has raised questions about fairness in machine learning. How can we decide whether different treatments are reasonable or discriminatory? In this paper, we investigate discrimination in machine learning from a visual analytics perspective and propose an interactive visualization tool, DiscriLens, to support a more comprehensive analysis. To reveal detailed information on algorithmic discrimination, DiscriLens identifies a collection of potentially discriminatory itemsets based on causal modeling and classification rules mining. By combining an extended Euler diagram with a matrix-based visualization, we develop a novel set visualization to facilitate the exploration and interpretation of discriminatory itemsets. A user study shows that users can interpret the visually encoded information in DiscriLens quickly and accurately. Use cases demonstrate that DiscriLens provides informative guidance in understanding and reducing algorithmic discrimination.

We study sampling problems associated with non-convex potentials that meanwhile lack smoothness. In particular, we consider target distributions that satisfy either logarithmic-Sobolev inequality or Poincar\'e inequality. Rather than smooth, the potentials are assumed to be semi-smooth or the summation of multiple semi-smooth functions. We develop a sampling algorithm that resembles proximal algorithms in optimization for this challenging sampling task. Our algorithm is based on a special case of Gibbs sampling known as the alternating sampling framework (ASF). The key contribution of this work is a practical realization of the ASF based on rejection sampling in the non-convex and semi-smooth setting. This work extends the recent algorithm in \cite{LiaChe21,LiaChe22} for non-smooth/semi-smooth log-concave distribution to the setting with non-convex potentials. In almost all the cases of sampling considered in this work, our proximal sampling algorithm achieves better complexity than all existing methods.

Prior work has proposed a simple strategy for reinforcement learning (RL): label experience with the outcomes achieved in that experience, and then imitate the relabeled experience. These outcome-conditioned imitation learning methods are appealing because of their simplicity, strong performance, and close ties with supervised learning. However, it remains unclear how these methods relate to the standard RL objective, reward maximization. In this paper, we formally relate outcome-conditioned imitation learning to reward maximization, drawing a precise relationship between the learned policy and Q-values and explaining the close connections between these methods and prior EM-based policy search methods. This analysis shows that existing outcome-conditioned imitation learning methods do not necessarily improve the policy, but a simple modification results in a method that does guarantee policy improvement, under some assumptions.

We propose an algorithm for non-stationary kernel bandits that does not require prior knowledge of the degree of non-stationarity. The algorithm follows randomized strategies obtained by solving optimization problems that balance exploration and exploitation. It adapts to non-stationarity by restarting when a change in the reward function is detected. Our algorithm enjoys a tighter dynamic regret bound than previous work on the non-stationary kernel bandit setting. Moreover, when applied to the non-stationary linear bandit setting by using a linear kernel, our algorithm is nearly minimax optimal, solving an open problem in the non-stationary linear bandit literature. We extend our algorithm to use a neural network for dynamically adapting the feature mapping to observed data. We prove a dynamic regret bound of the extension using the neural tangent kernel theory. We demonstrate empirically that our algorithm and the extension can adapt to varying degrees of non-stationarity.

Training automated agents to complete complex tasks in interactive environments is challenging: reinforcement learning requires careful hand-engineering of reward functions, imitation learning requires specialized infrastructure and access to a human expert, and learning from intermediate forms of supervision (like binary preferences) is time-consuming and extracts little information from each human intervention. Can we overcome these challenges by building agents that learn from rich, interactive feedback instead? We propose a new supervision paradigm for interactive learning based on "teachable" decision-making systems that learn from structured advice provided by an external teacher. We begin by formalizing a class of human-in-the-loop decision making problems in which multiple forms of teacher-provided advice are available to a learner. We then describe a simple learning algorithm for these problems that first learns to interpret advice, then learns from advice to complete tasks even in the absence of human supervision. In puzzle-solving, navigation, and locomotion domains, we show that agents that learn from advice can acquire new skills with significantly less human supervision than standard reinforcement learning algorithms and often less than imitation learning.

Hate speech detection has been the subject of high research attention, due to the scale of content created on social media. In spite of the attention and the sensitive nature of the task, privacy preservation in hate speech detection has remained under-studied. The majority of research has focused on centralised machine learning infrastructures which risk leaking data. In this paper, we show that using federated machine learning can help address privacy the concerns that are inherent to hate speech detection while obtaining up to 6.81% improvement in terms of F1-score.

When deploying machine learning models in high-stakes robotics applications, the ability to detect unsafe situations is crucial. Early warning systems can provide alerts when an unsafe situation is imminent (in the absence of corrective action). To reliably improve safety, these warning systems should have a provable false negative rate; i.e. of the situations that are unsafe, fewer than $\epsilon$ will occur without an alert. In this work, we present a framework that combines a statistical inference technique known as conformal prediction with a simulator of robot/environment dynamics, in order to tune warning systems to provably achieve an $\epsilon$ false negative rate using as few as $1/\epsilon$ data points. We apply our framework to a driver warning system and a robotic grasping application, and empirically demonstrate guaranteed false negative rate while also observing low false detection (positive) rate.

Stochastic gradient descent is a workhorse for training deep neural networks due to its excellent generalization performance. Several studies demonstrated this success is attributed to the implicit bias of the method that prefers a flat minimum and developed new methods based on this perspective. Recently, Izmailov et al. (2018) empirically observed that an averaged stochastic gradient descent with a large step size can bring out the implicit bias more effectively and can converge more stably to a flat minimum than the vanilla stochastic gradient descent. In our work, we theoretically justify this observation by showing that the averaging scheme improves the bias-optimization tradeoff coming from the stochastic gradient noise: a large step size amplifies the bias but makes convergence unstable, and vice versa. Specifically, we show that the averaged stochastic gradient descent can get closer to a solution of a penalized objective on the sharpness than the vanilla stochastic gradient descent using the same step size under certain conditions. In experiments, we verify our theory and show this learning scheme significantly improves performance.

Estimating treatment effects plays a crucial role in causal inference, having many real-world applications like policy analysis and decision making. Nevertheless, estimating treatment effects in the longitudinal setting in the presence of hidden confounders remains an extremely challenging problem. Recently, there is a growing body of work attempting to obtain unbiased ITE estimates from time-dynamic observational data by ignoring the possible existence of hidden confounders. Additionally, many existing works handling hidden confounders are not applicable for continuous-time settings. In this paper, we extend the line of work focusing on deconfounding in the dynamic time setting in the presence of hidden confounders. We leverage recent advancements in neural differential equations to build a latent factor model using a stochastic controlled differential equation and Lipschitz constrained convolutional operation in order to continuously incorporate information about ongoing interventions and irregularly sampled observations. Experiments on both synthetic and real-world datasets highlight the promise of continuous time methods for estimating treatment effects in the presence of hidden confounders.

Modern policy optimization methods in applied reinforcement learning, such as Trust Region Policy Optimization and Policy Mirror Descent, are often based on the policy gradient framework. While theoretical guarantees have been established for this class of algorithms, particularly in the tabular setting, the use of a general parametrization scheme remains mostly unjustified. In this work, we introduce a novel framework for policy optimization based on mirror descent that naturally accommodates general parametrizations. The policy class induced by our scheme recovers known classes, e.g. softmax, and it generates new ones, depending on the choice of the mirror map. For a general mirror map and parametrization class, we establish the quasi-monotonicity of the updates in value function, global linear convergence rates, and we bound the total expected Bregman divergence of the algorithm along its path. To showcase the ability of our framework to accommodate general parametrization schemes, we present a case study involving shallow neural networks.

Standard domain adaptation methods do not work well when a large gap exists between the source and target domains. Gradual domain adaptation is one of the approaches used to address the problem. It involves leveraging the intermediate domain, which gradually shifts from the source domain to the target domain. The previous work assumed that the number of intermediate domains is large and the distance between adjacent domains is small; hence, the gradual domain adaptation algorithm, involving self-training with unlabeled datasets, was applicable. In practice, however, gradual self-training will fail because the number of intermediate domains is limited and the distance between adjacent domains is large. We propose the use of normalizing flows to deal with this problem while maintaining the framework of unsupervised domain adaptation. We generate pseudo intermediate domains from normalizing flows and then use them for gradual domain adaptation. We evaluate our proposed method by experiments with real-world datasets and confirm that it mitigates the above-explained problem and improves the classification performance.

Federated learning has attracted increasing attention with the emergence of distributed data. While extensive federated learning algorithms have been proposed for the non-convex distributed problem, federated learning in practice still faces numerous challenges, such as the large training iterations to converge since the sizes of models and datasets keep increasing, and the lack of adaptivity by SGD-based model updates. Meanwhile, the study of adaptive methods in federated learning is scarce and existing works either lack a complete theoretical convergence guarantee or have slow sample complexity. In this paper, we propose an efficient adaptive algorithm (i.e., FAFED) based on the momentum-based variance-reduced technique in cross-silo FL. We first explore how to design the adaptive algorithm in the FL setting. By providing a counter-example, we prove that a simple combination of FL and adaptive methods could lead to divergence. More importantly, we provide a convergence analysis for our method and prove that our algorithm is the first adaptive FL algorithm to reach the best-known samples $O(\epsilon^{-3})$ and $O(\epsilon^{-2})$ communication rounds to find an $\epsilon$-stationary point without large batches. The experimental results on the language modeling task and image classification task with heterogeneous data demonstrate the efficiency of our algorithms.

The Internet of Things (IoT) faces tremendous security challenges. Machine learning models can be used to tackle the growing number of cyber-attack variations targeting IoT systems, but the increasing threat posed by adversarial attacks restates the need for reliable defense strategies. This work describes the types of constraints required for a realistic adversarial cyber-attack example and proposes a methodology for a trustworthy adversarial robustness analysis with a realistic adversarial evasion attack vector. The proposed methodology was used to evaluate three supervised algorithms, Random Forest (RF), Extreme Gradient Boosting (XGB), and Light Gradient Boosting Machine (LGBM), and one unsupervised algorithm, Isolation Forest (IFOR). Constrained adversarial examples were generated with the Adaptative Perturbation Pattern Method (A2PM), and evasion attacks were performed against models created with regular and adversarial training. Even though RF was the least affected in binary classification, XGB consistently achieved the highest accuracy in multi-class classification. The obtained results evidence the inherent susceptibility of tree-based algorithms and ensembles to adversarial evasion attacks and demonstrates the benefits of adversarial training and a security by design approach for a more robust IoT network intrusion detection and cyber-attack classification.

Humans possess a remarkable capability to make fast, intuitive decisions, but also to self-reflect, i.e., to explain to oneself, and to efficiently learn from explanations by others. This work provides the first steps toward mimicking this process by capitalizing on the explanations generated based on existing explanation methods, i.e. Grad-CAM. Learning from explanations combined with conventional labeled data yields significant improvements for classification in terms of accuracy and training time.

Simulation-based falsification is a practical testing method to increase confidence that the system will meet safety requirements. Because full-fidelity simulations can be computationally demanding, we investigate the use of simulators with different levels of fidelity. As a first step, we express the overall safety specification in terms of environmental parameters and structure this safety specification as an optimization problem. We propose a multi-fidelity falsification framework using Bayesian optimization, which is able to determine at which level of fidelity we should conduct a safety evaluation in addition to finding possible instances from the environment that cause the system to fail. This method allows us to automatically switch between inexpensive, inaccurate information from a low-fidelity simulator and expensive, accurate information from a high-fidelity simulator in a cost-effective way. Our experiments on various environments in simulation demonstrate that multi-fidelity Bayesian optimization has falsification performance comparable to single-fidelity Bayesian optimization but with much lower cost.

Although sparse training has been successfully used in various resource-limited deep learning tasks to save memory, accelerate training, and reduce inference time, the reliability of the produced sparse models remains unexplored. Previous research has shown that deep neural networks tend to be over-confident, and we find that sparse training exacerbates this problem. Therefore, calibrating the sparse models is crucial for reliable prediction and decision-making. In this paper, we propose a new sparse training method to produce sparse models with improved confidence calibration. In contrast to previous research that uses only one mask to control the sparse topology, our method utilizes two masks, including a deterministic mask and a random mask. The former efficiently searches and activates important weights by exploiting the magnitude of weights and gradients. While the latter brings better exploration and finds more appropriate weight values by random updates. Theoretically, we prove our method can be viewed as a hierarchical variational approximation of a probabilistic deep Gaussian process. Extensive experiments on multiple datasets, model architectures, and sparsities show that our method reduces ECE values by up to 47.8\% and simultaneously maintains or even improves accuracy with only a slight increase in computation and storage burden.

Negative control is a strategy for learning the causal relationship between treatment and outcome in the presence of unmeasured confounding. The treatment effect can nonetheless be identified if two auxiliary variables are available: a negative control treatment (which has no effect on the actual outcome), and a negative control outcome (which is not affected by the actual treatment). These auxiliary variables can also be viewed as proxies for a traditional set of control variables, and they bear resemblance to instrumental variables. I propose a family of algorithms based on kernel ridge regression for learning nonparametric treatment effects with negative controls. Examples include dose response curves, dose response curves with distribution shift, and heterogeneous treatment effects. Data may be discrete or continuous, and low, high, or infinite dimensional. I prove uniform consistency and provide finite sample rates of convergence. I estimate the dose response curve of cigarette smoking on infant birth weight adjusting for unobserved confounding due to household income, using a data set of singleton births in the state of Pennsylvania between 1989 and 1991.

Sequential VAEs have been successfully considered for many high-dimensional time series modelling problems, with many variant models relying on discrete-time mechanisms such as recurrent neural networks (RNNs). On the other hand, continuous-time methods have recently gained attraction, especially in the context of irregularly-sampled time series, where they can better handle the data than discrete-time methods. One such class are Gaussian process variational autoencoders (GPVAEs), where the VAE prior is set as a Gaussian process (GP). However, a major limitation of GPVAEs is that it inherits the cubic computational cost as GPs, making it unattractive to practioners. In this work, we leverage the equivalent discrete state space representation of Markovian GPs to enable linear time GPVAE training via Kalman filtering and smoothing. We show on a variety of high-dimensional temporal and spatiotemporal tasks that our method performs favourably compared to existing approaches whilst being computationally highly scalable.

The promise of multimodal models for real-world applications has inspired research in visualizing and understanding their internal mechanics with the end goal of empowering stakeholders to visualize model behavior, perform model debugging, and promote trust in machine learning models. However, modern multimodal models are typically black-box neural networks, which makes it challenging to understand their internal mechanics. How can we visualize the internal modeling of multimodal interactions in these models? Our paper aims to fill this gap by proposing MultiViz, a method for analyzing the behavior of multimodal models by scaffolding the problem of interpretability into 4 stages: (1) unimodal importance: how each modality contributes towards downstream modeling and prediction, (2) cross-modal interactions: how different modalities relate with each other, (3) multimodal representations: how unimodal and cross-modal interactions are represented in decision-level features, and (4) multimodal prediction: how decision-level features are composed to make a prediction. MultiViz is designed to operate on diverse modalities, models, tasks, and research areas. Through experiments on 8 trained models across 6 real-world tasks, we show that the complementary stages in MultiViz together enable users to (1) simulate model predictions, (2) assign interpretable concepts to features, (3) perform error analysis on model misclassifications, and (4) use insights from error analysis to debug models. MultiViz is publicly available, will be regularly updated with new interpretation tools and metrics, and welcomes inputs from the community.

Reinforcement learning (RL) has achieved tremendous success in many complex decision making tasks. When it comes to deploying RL in the real world, safety concerns are usually raised, leading to a growing demand for safe RL algorithms, such as in autonomous driving and robotics scenarios. While safety control has a long history, the study of safe RL algorithms is still in the early stages. To establish a good foundation for future research in this thread, in this paper, we provide a review for safe RL from the perspectives of methods, theory and applications. Firstly, we review the progress of safe RL from five dimensions and come up with five problems that are crucial for safe RL being deployed in real-world applications, coined as "2H3W". Secondly, we analyze the theory and algorithm progress from the perspectives of answering the "2H3W" problems. Then, the sample complexity of safe RL methods is reviewed and discussed, followed by an introduction of the applications and benchmarks of safe RL algorithms. Finally, we open the discussion of the challenging problems in safe RL, hoping to inspire more future research on this thread. To advance the study of safe RL algorithms, we release a benchmark suite, an open-sourced repository containing the implementations of major safe RL algorithms, along with tutorials at the link: https://github.com/chauncygu/Safe-Reinforcement-Learning-Baselines.git.

Users often ask dialogue systems ambiguous questions that require clarification. We show that current language models rarely ask users to clarify ambiguous questions and instead provide incorrect answers. To address this, we introduce CLAM: a framework for getting language models to selectively ask for clarification about ambiguous user questions. In particular, we show that we can prompt language models to detect whether a given question is ambiguous, generate an appropriate clarifying question to ask the user, and give a final answer after receiving clarification. We also show that we can simulate users by providing language models with privileged information. This lets us automatically evaluate multi-turn clarification dialogues. Finally, CLAM significantly improves language models' accuracy on mixed ambiguous and unambiguous questions relative to SotA.

Deploying machine learning (ML) models often requires both fairness and privacy guarantees. Both of these objectives present unique trade-offs with the utility (e.g., accuracy) of the model. However, the mutual interactions between fairness, privacy, and utility are less well-understood. As a result, often only one objective is optimized, while the others are tuned as hyper-parameters. Because they implicitly prioritize certain objectives, such designs bias the model in pernicious, undetectable ways. To address this, we adopt impartiality as a principle: design of ML pipelines should not favor one objective over another. We propose impartially-specified models, which provide us with accurate Pareto frontiers that show the inherent trade-offs between the objectives. Extending two canonical ML frameworks for privacy-preserving learning, we provide two methods (FairDP-SGD and FairPATE) to train impartially-specified models and recover the Pareto frontier. Through theoretical privacy analysis and a comprehensive empirical study, we provide an answer to the question of where fairness mitigation should be integrated within a privacy-aware ML pipeline.

We develop a framework for the average-case analysis of random quadratic problems and derive algorithms that are optimal under this analysis. This yields a new class of methods that achieve acceleration given a model of the Hessian's eigenvalue distribution. We develop explicit algorithms for the uniform, Marchenko-Pastur, and exponential distributions. These methods are momentum-based algorithms, whose hyper-parameters can be estimated without knowledge of the Hessian's smallest singular value, in contrast with classical accelerated methods like Nesterov acceleration and Polyak momentum. Through empirical benchmarks on quadratic and logistic regression problems, we identify regimes in which the the proposed methods improve over classical (worst-case) accelerated methods.

Differentiable architecture search (DAS) is a widely researched tool for the discovery of novel architectures, due to its promising results for image classification. The main benefit of DAS is the effectiveness achieved through the weight-sharing one-shot paradigm, which allows efficient architecture search. In this work, we investigate DAS in a systematic case study of inverse problems, which allows us to analyze these potential benefits in a controlled manner. We demonstrate that the success of DAS can be extended from image classification to signal reconstruction, in principle. However, our experiments also expose three fundamental difficulties in the evaluation of DAS-based methods in inverse problems: First, the results show a large variance in all test cases. Second, the final performance is strongly dependent on the hyperparameters of the optimizer. And third, the performance of the weight-sharing architecture used during training does not reflect the final performance of the found architecture well. While the results on image reconstruction confirm the potential of the DAS paradigm, they challenge the common understanding of DAS as a one-shot method.

We study the problem of estimating the distribution of the return of a policy using an offline dataset that is not generated from the policy, i.e., distributional offline policy evaluation (OPE). We propose an algorithm called Fitted Likelihood Estimation (FLE), which conducts a sequence of Maximum Likelihood Estimation (MLE) problems and has the flexibility of integrating any state-of-art probabilistic generative models as long as it can be trained via MLE. FLE can be used for both finite horizon and infinite horizon discounted settings where rewards can be multi-dimensional vectors. In our theoretical results, we show that for both finite and infinite horizon discounted settings, FLE can learn distributions that are close to the ground truth under total variation distance and Wasserstein distance, respectively. Our theoretical results hold under the conditions that the offline data covers the test policy's traces and the supervised learning MLE procedures succeed. Experimentally, we demonstrate the performance of FLE with two generative models, Gaussian mixture models and diffusion models. For the multi-dimensional reward setting, FLE with diffusion models is capable of estimating the complicated distribution of the return of a test policy.

This paper proposes a vehicular edge federated learning (VEFL) solution, where an edge server leverages highly mobile connected vehicles' (CVs') onboard central processing units (CPUs) and local datasets to train a global model. Convergence analysis reveals that the VEFL training loss depends on the successful receptions of the CVs' trained models over the intermittent vehicle-to-infrastructure (V2I) wireless links. Owing to high mobility, in the full device participation case (FDPC), the edge server aggregates client model parameters based on a weighted combination according to the CVs' dataset sizes and sojourn periods, while it selects a subset of CVs in the partial device participation case (PDPC). We then devise joint VEFL and radio access technology (RAT) parameters optimization problems under delay, energy and cost constraints to maximize the probability of successful reception of the locally trained models. Considering that the optimization problem is NP-hard, we decompose it into a VEFL parameter optimization sub-problem, given the estimated worst-case sojourn period, delay and energy expense, and an online RAT parameter optimization sub-problem. Finally, extensive simulations are conducted to validate the effectiveness of the proposed solutions with a practical 5G new radio (5G-NR) RAT under a realistic microscopic mobility model.

Many real-world applications require an agent to make robust and deliberate decisions with multimodal information (e.g., robots with multi-sensory inputs). However, it is very challenging to train the agent via reinforcement learning (RL) due to the heterogeneity and dynamic importance of different modalities. Specifically, we observe that these issues make conventional RL methods difficult to learn a useful state representation in the end-to-end training with multimodal information. To address this, we propose a novel multimodal RL approach that can do multimodal alignment and importance enhancement according to their similarity and importance in terms of RL tasks respectively. By doing so, we are able to learn an effective state representation and consequentially improve the RL training process. We test our approach on several multimodal RL domains, showing that it outperforms state-of-the-art methods in terms of learning speed and policy quality.

Layer-wise model fusion via optimal transport, named OTFusion, applies soft neuron association for unifying different pre-trained networks to save computational resources. While enjoying its success, OTFusion requires the input networks to have the same number of layers. To address this issue, we propose a novel model fusion framework, named CLAFusion, to fuse neural networks with a different number of layers, which we refer to as heterogeneous neural networks, via cross-layer alignment. The cross-layer alignment problem, which is an unbalanced assignment problem, can be solved efficiently using dynamic programming. Based on the cross-layer alignment, our framework balances the number of layers of neural networks before applying layer-wise model fusion. Our experiments indicate that CLAFusion, with an extra finetuning process, improves the accuracy of residual networks on the CIFAR10, CIFAR100, and Tiny-ImageNet datasets. Furthermore, we explore its practical usage for model compression and knowledge distillation when applying to the teacher-student setting.

A lot of theoretical and empirical evidence shows that the flatter local minima tend to improve generalization. Adversarial Weight Perturbation (AWP) is an emerging technique to efficiently and effectively find such minima. In AWP we minimize the loss w.r.t. a bounded worst-case perturbation of the model parameters thereby favoring local minima with a small loss in a neighborhood around them. The benefits of AWP, and more generally the connections between flatness and generalization, have been extensively studied for i.i.d. data such as images. In this paper, we extensively study this phenomenon for graph data. Along the way, we first derive a generalization bound for non-i.i.d. node classification tasks. Then we identify a vanishing-gradient issue with all existing formulations of AWP and we propose a new Weighted Truncated AWP (WT-AWP) to alleviate this issue. We show that regularizing graph neural networks with WT-AWP consistently improves both natural and robust generalization across many different graph learning tasks and models.

The practice of deep learning has shown that neural networks generalize remarkably well even with an extreme number of learned parameters. This appears to contradict traditional statistical wisdom, in which a trade-off between model complexity and fit to the data is essential. We aim to address this discrepancy by adopting a convex optimization and sparse recovery perspective. We consider the training and generalization properties of two-layer ReLU networks with standard weight decay regularization. Under certain regularity assumptions on the data, we show that ReLU networks with an arbitrary number of parameters learn only simple models that explain the data. This is analogous to the recovery of the sparsest linear model in compressed sensing. For ReLU networks and their variants with skip connections or normalization layers, we present isometry conditions that ensure the exact recovery of planted neurons. For randomly generated data, we show the existence of a phase transition in recovering planted neural network models, which is easy to describe: whenever the ratio between the number of samples and the dimension exceeds a numerical threshold, the recovery succeeds with high probability; otherwise, it fails with high probability. Surprisingly, ReLU networks learn simple and sparse models that generalize well even when the labels are noisy . The phase transition phenomenon is confirmed through numerical experiments.

One of the training strategies of generative models is to minimize the Jensen--Shannon divergence between the model distribution and the data distribution. Since data distribution is unknown, generative adversarial networks (GANs) formulate this problem as a game between two models, a generator and a discriminator. The training can be formulated in the context of game theory and the local Nash equilibrium (LNE). It does not seem feasible to derive guarantees of stability or optimality for the existing methods. This optimization problem is far more challenging than the single objective setting. Here, we use the conjugate gradient method to reliably and efficiently solve the LNE problem in GANs. We give a proof and convergence analysis under mild assumptions showing that the proposed method converges to a LNE with three different learning rate update rules, including a constant learning rate. Finally, we demonstrate that the proposed method outperforms stochastic gradient descent (SGD) and momentum SGD in terms of best Frechet inception distance (FID) score and outperforms Adam on average. The code is available at \url{https://github.com/Hiroki11x/ConjugateGradient_GAN}.

We attack the state-of-the-art Go-playing AI system KataGo by training adversarial policies that play against frozen KataGo victims. Our attack achieves a >99% win rate when KataGo uses no tree search, and a >97% win rate when KataGo uses enough search to be superhuman. We train our adversaries with a modified KataGo implementation, using less than 14% of the compute used to train the original KataGo. Notably, our adversaries do not win by learning to play Go better than KataGo -- in fact, our adversaries are easily beaten by human amateurs. Instead, our adversaries win by tricking KataGo into making serious blunders. Our attack transfers zero-shot to other superhuman Go-playing AIs, and is interpretable to the extent that human experts can successfully implement it, without algorithmic assistance, to consistently beat superhuman AIs. Our results demonstrate that even superhuman AI systems may harbor surprising failure modes. Example games are available at https://goattack.far.ai/.

Machine learning algorithms are often repeatedly applied to problems with similar structure over and over again. We focus on solving a sequence of bandit optimization tasks and develop LIBO, an algorithm which adapts to the environment by learning from past experience and becomes more sample-efficient in the process. We assume a kernelized structure where the kernel is unknown but shared across all tasks. LIBO sequentially meta-learns a kernel that approximates the true kernel and solves the incoming tasks with the latest kernel estimate. Our algorithm can be paired with any kernelized or linear bandit algorithm and guarantees oracle optimal performance, meaning that as more tasks are solved, the regret of LIBO on each task converges to the regret of the bandit algorithm with oracle knowledge of the true kernel. Naturally, if paired with a sublinear bandit algorithm, LIBO yields a sublinear lifelong regret. We also show that direct access to the data from each task is not necessary for attaining sublinear regret. We propose F-LIBO, which solves the lifelong problem in a federated manner.

We develop an algorithmic framework for solving convex optimization problems using no-regret game dynamics. By converting the problem of minimizing a convex function into an auxiliary problem of solving a min-max game in a sequential fashion, we can consider a range of strategies for each of the two-players who must select their actions one after the other. A common choice for these strategies are so-called no-regret learning algorithms, and we describe a number of such and prove bounds on their regret. We then show that many classical first-order methods for convex optimization -- including average-iterate gradient descent, the Frank-Wolfe algorithm, Nesterov's acceleration methods, and the accelerated proximal method -- can be interpreted as special cases of our framework as long as each player makes the correct choice of no-regret strategy. Proving convergence rates in this framework becomes very straightforward, as they follow from plugging in the appropriate known regret bounds. Our framework also gives rise to a number of new first-order methods for special cases of convex optimization that were not previously known.

At the core of many machine learning methods resides an iterative optimization algorithm for their training. Such optimization algorithms often come with a plethora of choices regarding their implementation. In the case of deep neural networks, choices of optimizer, learning rate, batch size, etc. must be made. Despite the fundamental way in which these choices impact the training of deep neural networks, there exists no general method for identifying when they lead to equivalent, or non-equivalent, optimization trajectories. By viewing iterative optimization as a discrete-time dynamical system, we are able to leverage Koopman operator theory, where it is known that conjugate dynamics can have identical spectral objects. We find highly overlapping Koopman spectra associated with the application of online mirror and gradient descent to specific problems, illustrating that such a data-driven approach can corroborate the recently discovered analytical equivalence between the two optimizers. We extend our analysis to feedforward, fully connected neural networks, providing the first general characterization of when choices of learning rate, batch size, layer width, data set, and activation function lead to equivalent, and non-equivalent, evolution of network parameters during training. Among our main results, we find that learning rate to batch size ratio, layer width, nature of data set (handwritten vs. synthetic), and activation function affect the nature of conjugacy. Our data-driven approach is general and can be utilized broadly to compare the optimization of machine learning methods.

Deep-learning models have enabled performance leaps in analysis of high-dimensional functional MRI (fMRI) data. Yet, many previous methods are suboptimally sensitive for contextual representations across diverse time scales. Here, we present BolT, a blood-oxygen-level-dependent transformer model, for analyzing multi-variate fMRI time series. BolT leverages a cascade of transformer encoders equipped with a novel fused window attention mechanism. Encoding is performed on temporally-overlapped windows within the time series to capture local representations. To integrate information temporally, cross-window attention is computed between base tokens in each window and fringe tokens from neighboring windows. To gradually transition from local to global representations, the extent of window overlap and thereby number of fringe tokens are progressively increased across the cascade. Finally, a novel cross-window regularization is employed to align high-level classification features across the time series. Comprehensive experiments on large-scale public datasets demonstrate the superior performance of BolT against state-of-the-art methods. Furthermore, explanatory analyses to identify landmark time points and regions that contribute most significantly to model decisions corroborate prominent neuroscientific findings in the literature.

In the study of subsurface seismic imaging, solving the acoustic wave equation is a pivotal component in existing models. The advancement of deep learning enables solving partial differential equations, including wave equations, by applying neural networks to identify the mapping between the inputs and the solution. This approach can be faster than traditional numerical methods when numerous instances are to be solved. Previous works that concentrate on solving the wave equation by neural networks consider either a single velocity model or multiple simple velocity models, which is restricted in practice. Instead, inspired by the idea of operator learning, this work leverages the Fourier neural operator (FNO) to effectively learn the frequency domain seismic wavefields under the context of variable velocity models. We also propose a new framework paralleled Fourier neural operator (PFNO) for efficiently training the FNO-based solver given multiple source locations and frequencies. Numerical experiments demonstrate the high accuracy of both FNO and PFNO with complicated velocity models in the OpenFWI datasets. Furthermore, the cross-dataset generalization test verifies that PFNO adapts to out-of-distribution velocity models. Moreover, PFNO has robust performance in the presence of random noise in the labels. Finally, PFNO admits higher computational efficiency on large-scale testing datasets than the traditional finite-difference method. The aforementioned advantages endow the FNO-based solver with the potential to build powerful models for research on seismic waves.

Deep Neural Networks (DNNs) are prone to learn shortcut patterns that damage the generalization of the DNN during deployment. Shortcut Learning is concerning, particularly when the DNNs are applied to safety-critical domains. This paper aims to better understand shortcut learning through the lens of the learning dynamics of the internal neurons during the training process. More specifically, we make the following observations: (1) While previous works treat shortcuts as synonymous with spurious correlations, we emphasize that not all spurious correlations are shortcuts. We show that shortcuts are only those spurious features that are "easier" than the core features. (2) We build upon this premise and use instance difficulty methods (like Prediction Depth) to quantify "easy" and to identify this behavior during the training phase. (3) We empirically show that shortcut learning can be detected by observing the learning dynamics of the DNN's early layers, irrespective of the network architecture used. In other words, easy features learned by the initial layers of a DNN early during the training are potential shortcuts. We verify our claims on simulated and real medical imaging data and justify the empirical success of our hypothesis by showing the theoretical connections between Prediction Depth and information-theoretic concepts like V-usable information. Lastly, our experiments show the insufficiency of monitoring only accuracy plots during training (as is common in machine learning pipelines), and we highlight the need for monitoring early training dynamics using example difficulty metrics.

While machine learning models rapidly advance the state-of-the-art on various real-world tasks, out-of-domain (OOD) generalization remains a challenging problem given the vulnerability of these models to spurious correlations. We propose a balanced mini-batch sampling strategy to transform a biased data distribution into a spurious-free balanced distribution, based on the invariance of the underlying causal mechanisms for the data generation process. We argue that the Bayes optimal classifiers trained on such balanced distribution are minimax optimal across a diverse enough environment space. We also provide an identifiability guarantee of the latent variable model of the proposed data generation process, when utilizing enough train environments. Experiments are conducted on DomainBed, demonstrating empirically that our method obtains the best performance across 20 baselines reported on the benchmark.

The UK COVID-19 Vocal Audio Dataset is designed for the training and evaluation of machine learning models that classify SARS-CoV-2 infection status or associated respiratory symptoms using vocal audio. The UK Health Security Agency recruited voluntary participants through the national Test and Trace programme and the REACT-1 survey in England from March 2021 to March 2022, during dominant transmission of the Alpha and Delta SARS-CoV-2 variants and some Omicron variant sublineages. Audio recordings of volitional coughs, exhalations, and speech were collected in the 'Speak up to help beat coronavirus' digital survey alongside demographic, self-reported symptom and respiratory condition data, and linked to SARS-CoV-2 test results. The UK COVID-19 Vocal Audio Dataset represents the largest collection of SARS-CoV-2 PCR-referenced audio recordings to date. PCR results were linked to 70,794 of 72,999 participants and 24,155 of 25,776 positive cases. Respiratory symptoms were reported by 45.62% of participants. This dataset has additional potential uses for bioacoustics research, with 11.30% participants reporting asthma, and 27.20% with linked influenza PCR test results.

Traffic congestion is a persistent problem in our society. Existing methods for traffic control have proven futile in alleviating current congestion levels leading researchers to explore ideas with robot vehicles given the increased emergence of vehicles with different levels of autonomy on our roads. This gives rise to hybrid traffic control, where robot vehicles regulate human-driven vehicles, through reinforcement learning (RL). However, most existing studies use precise observations that involve global information, such as network throughput, as well as local information, such as vehicle positions and velocities. Obtaining this information requires updating existing road infrastructure with vast sensor networks and communication to potentially unwilling human drivers. We consider image observations as the alternative for hybrid traffic control via RL: 1) images are readily available through satellite imagery, in-car camera systems, and traffic monitoring systems; 2) Images do not require a complete re-imagination of the observation space from network to network; and 3) images only require communication to equipment. In this work, we show that robot vehicles using image observations can achieve similar performance to using precise information on networks, including ring, figure eight, merge, bottleneck, and intersections. We also demonstrate increased performance (up to 26%) in certain cases on tested networks, despite only using local traffic information as opposed to global traffic information.

Robust state tracking for task-oriented dialogue systems currently remains restricted to a few popular languages. This paper shows that given a large-scale dialogue data set in one language, we can automatically produce an effective semantic parser for other languages using machine translation. We propose automatic translation of dialogue datasets with alignment to ensure faithful translation of slot values and eliminate costly human supervision used in previous benchmarks. We also propose a new contextual semantic parsing model, which encodes the formal slots and values, and only the last agent and user utterances. We show that the succinct representation reduces the compounding effect of translation errors, without harming the accuracy in practice. We evaluate our approach on several dialogue state tracking benchmarks. On RiSAWOZ, CrossWOZ, CrossWOZ-EN, and MultiWOZ-ZH datasets we improve the state of the art by 11%, 17%, 20%, and 0.3% in joint goal accuracy. We present a comprehensive error analysis for all three datasets showing erroneous annotations can lead to misguided judgments on the quality of the model. Finally, we present RiSAWOZ English and German datasets, created using our translation methodology. On these datasets, accuracy is within 11% of the original showing that high-accuracy multilingual dialogue datasets are possible without relying on expensive human annotations. We release our datasets and software open source.

Ensuring trustworthiness in machine learning (ML) models is a multi-dimensional task. In addition to the traditional notion of predictive performance, other notions such as privacy, fairness, robustness to distribution shift, adversarial robustness, interpretability, explainability, and uncertainty quantification are important considerations to evaluate and improve (if deficient). However, these sub-disciplines or 'pillars' of trustworthiness have largely developed independently, which has limited us from understanding their interactions in real-world ML pipelines. In this paper, focusing specifically on compositions of functions arising from the different pillars, we aim to reduce this gap, develop new insights for trustworthy ML, and answer questions such as the following. Does the composition of multiple fairness interventions result in a fairer model compared to a single intervention? How do bias mitigation algorithms for fairness affect local post-hoc explanations? Does a defense algorithm for untargeted adversarial attacks continue to be effective when composed with a privacy transformation? Toward this end, we report initial empirical results and new insights from 9 different compositions of functions (or pipelines) on 7 real-world datasets along two trustworthy dimensions - fairness and explainability. We also report progress, and implementation choices, on an extensible composer tool to encourage the combination of functionalities from multiple pillars. To-date, the tool supports bias mitigation algorithms for fairness and post-hoc explainability methods. We hope this line of work encourages the thoughtful consideration of multiple pillars when attempting to formulate and resolve a trustworthiness problem.

The data heterogeneity across devices and the limited communication resources, e.g., bandwidth and energy, are two of the main bottlenecks for wireless federated learning (FL). To tackle these challenges, we first devise a novel FL framework with partial model aggregation (PMA). This approach aggregates the lower layers of neural networks, responsible for feature extraction, at the parameter server while keeping the upper layers, responsible for complex pattern recognition, at devices for personalization. The proposed PMA-FL is able to address the data heterogeneity and reduce the transmitted information in wireless channels. Then, we derive a convergence bound of the framework under a non-convex loss function setting to reveal the role of unbalanced data size in the learning performance. On this basis, we maximize the scheduled data size to minimize the global loss function through jointly optimize the device scheduling, bandwidth allocation, computation and communication time division policies with the assistance of Lyapunov optimization. Our analysis reveals that the optimal time division is achieved when the communication and computation parts of PMA-FL have the same power. We also develop a bisection method to solve the optimal bandwidth allocation policy and use the set expansion algorithm to address the device scheduling policy. Compared with the benchmark schemes, the proposed PMA-FL improves 3.13\% and 11.8\% accuracy on two typical datasets with heterogeneous data distribution settings, i.e., MINIST and CIFAR-10, respectively. In addition, the proposed joint dynamic device scheduling and resource management approach achieve slightly higher accuracy than the considered benchmarks, but they provide a satisfactory energy and time reduction: 29\% energy or 20\% time reduction on the MNIST; and 25\% energy or 12.5\% time reduction on the CIFAR-10.

Conformal prediction is a simple and powerful tool that can quantify uncertainty without any distributional assumptions. Many existing methods only address the average coverage guarantee, which is not ideal compared to the stronger conditional coverage guarantee. Existing methods of approximating conditional coverage require additional models or time effort, which makes them not easy to scale. In this paper, we propose a modified non-conformity score by leveraging the local approximation of the conditional distribution using kernel density estimation. The modified score inherits the spirit of split conformal methods, which is simple and efficient and can scale to high dimensional settings. We also proposed a unified framework that brings together our method and several state-of-the-art. We perform extensive empirical evaluations: results measured by both average and conditional coverage confirm the advantage of our method.

The limits of open-ended generative models are unclear, yet increasingly important. What causes them to succeed and what causes them to fail? In this paper, we take a prompt-centric approach to analyzing and bounding the abilities of open-ended generative models. We present a generic methodology of analysis with two challenging prompt constraint types: structural and stylistic. These constraint types are categorized into a set of well-defined constraints that are analyzable by a single prompt. We then systematically create a diverse set of simple, natural, and useful prompts to robustly analyze each individual constraint. Using the GPT-3 text-davinci-002 model as a case study, we generate outputs from our collection of prompts and analyze the model's generative failures. We also show the generalizability of our proposed method on other large models like BLOOM and OPT. Our results and our in-context mitigation strategies reveal open challenges for future research. We have publicly released our code at https://github.com/SALT-NLP/Bound-Cap-LLM.

Uncertainty in sensors results in corrupted input streams and hinders the performance of Deep Neural Networks (DNN), which focus on deducing information from data. However, for sensors with multiple input streams, the relevant information among the streams correlates and hence contains mutual information. This paper utilizes this opportunity to recover the perturbed information due to corrupted input streams. We propose RecNet, which estimates the information entropy at every element of the input feature to the network and interpolates the missing information in the input feature matrix. Finally, using the estimated information entropy and interpolated data, we introduce a novel guided replacement procedure to recover the complete information that is the input to the downstream DNN task. We evaluate the proposed algorithm on a sound event detection and localization application where audio streams from the microphone array are corrupted. We have recovered the performance drop due to the corrupted input stream and reduced the localization error with non-corrupted input streams.

We propose a new method for selecting the most appropriate network centrality measure based on the user's opinion on how such a measure should work on simple graphs. The method consists in: (1) forming a set $\cal F$ of candidate measures; (2) generating a list $\cal G$ of fairly simple graphs such that for every pair of measures in $\cal F$, the centrality rankings they define differ on some graph $G\in{\cal G}$; (3) compiling a survey that consists of questions on comparing the centrality of test nodes in some graphs $G\in{\cal G}$; (4) completing this survey, which yields a centrality measure consistent with all user responses. We develop algorithms that implement the proposed method, called culling, for an arbitrary finite set $\cal F$ that does not contain order-equivalent measures. The culling method can be used either for rapid analysis or in combination with a normative approach by compiling a survey on the subset of measures that satisfy chosen axioms. As an example, this method is applied to a set of forty diverse centrality measures. Abbreviated surveys are constructed on the subsets of measures that satisfy the Self-consistency or Bridge axioms.

Deep neural networks have revolutionized the field of supervised learning by enabling accurate predictions through learning from large annotated datasets. However, acquiring large annotated medical imaging datasets is a challenging task, especially for rare diseases, due to the high cost, time, and effort required for annotation. In these scenarios, unsupervised disease detection methods, such as anomaly detection, can save significant human effort. A typically used approach for anomaly detection is to learn the images from healthy subjects only, assuming the model will detect the images from diseased subjects as outliers. However, in many real-world scenarios, unannotated datasets with a mix of healthy and diseased individuals are available. Recent studies have shown improvement in unsupervised disease/anomaly detection using such datasets of unannotated images from healthy and diseased individuals compared to datasets that only include images from healthy individuals. A major issue remains unaddressed in these studies, which is selecting the best model for inference from a set of trained models without annotated samples. To address this issue, we propose Brainomaly, a GAN-based image-to-image translation method for neurologic disease detection using unannotated T1-weighted brain MRIs of individuals with neurologic diseases and healthy subjects. Brainomaly is trained to remove the diseased regions from the input brain MRIs and generate MRIs of corresponding healthy brains. Instead of generating the healthy images directly, Brainomaly generates an additive map where each voxel indicates the amount of changes required to make the input image look healthy. In addition, Brainomaly uses a pseudo-AUC metric for inference model selection, which further improves the detection performance. Our Brainomaly outperforms existing state-of-the-art methods by large margins.

Human activity recognition (HAR) has been a classic research problem. In particular, with recent machine learning (ML) techniques, the recognition task has been largely investigated by companies and integrated into their products for customers. However, most of them apply a predefined activity set and conduct the learning process on the cloud, hindering specific personalizations from end users (i.e., edge devices). Even though recent progress in Incremental Learning allows learning new-class data on the fly, the learning process is generally conducted on the cloud, requiring constant data exchange between cloud and edge devices, thus leading to data privacy issues. In this paper, we propose PILOTE, which pushes the incremental learning process to the extreme edge, while providing reliable data privacy and practical utility, e.g., low processing latency, personalization, etc. In particular, we consider the practical challenge of extremely limited data during the incremental learning process on edge, where catastrophic forgetting is required to be handled in a practical way. We validate PILOTE with extensive experiments on human activity data collected from mobile sensors. The results show PILOTE can work on edge devices with extremely limited resources while providing reliable performance.

Solving constrained nonlinear optimization problems (CNLPs) is a longstanding problem that arises in various fields, e.g., economics, computer science, and engineering. We propose optimization-informed neural networks (OINN), a deep learning approach to solve CNLPs. By neurodynamic optimization methods, a CNLP is first reformulated as an initial value problem (IVP) involving an ordinary differential equation (ODE) system. A neural network model is then used as an approximate solution for this IVP, with the endpoint being the prediction to the CNLP. We propose a novel training algorithm that directs the model to hold the best prediction during training. In a nutshell, OINN transforms a CNLP into a neural network training problem. By doing so, we can solve CNLPs based on deep learning infrastructure only, without using standard optimization solvers or numerical integration solvers. The effectiveness of the proposed approach is demonstrated through a collection of classical problems, e.g., variational inequalities, nonlinear complementary problems, and standard CNLPs.

Population synthesis consists of generating synthetic but realistic representations of a target population of micro-agents for the purpose of behavioral modeling and simulation. We introduce a new framework based on copulas to generate synthetic data for a target population of which only the empirical marginal distributions are known by using a sample from another population sharing similar marginal dependencies. This makes it possible to include a spatial component in the generation of population synthesis and to combine various sources of information to obtain more realistic population generators. Specifically, we normalize the data and treat them as realizations of a given copula, and train a generative model on the normalized data before injecting the information on the marginals. We compare the copulas framework to IPF and to modern probabilistic approaches such as Bayesian networks, variational auto-encoders, and generative adversarial networks. We also illustrate on American Community Survey data that the method proposed allows to study the structure of the data at different geographical levels in a way that is robust to the peculiarities of the marginal distributions.

We study the problem of real-time scheduling in a multi-hop millimeter-wave (mmWave) mesh. We develop a model-free deep reinforcement learning algorithm called Adaptive Activator RL (AARL), which determines the subset of mmWave links that should be activated during each time slot and the power level for each link. The most important property of AARL is its ability to make scheduling decisions within the strict time slot constraints of typical 5G mmWave networks. AARL can handle a variety of network topologies, network loads, and interference models, it can also adapt to different workloads. We demonstrate the operation of AARL on several topologies: a small topology with 10 links, a moderately-sized mesh with 48 links, and a large topology with 96 links. We show that for each topology, we compare the throughput obtained by AARL to that of a benchmark algorithm called RPMA (Residual Profit Maximizer Algorithm). The most important advantage of AARL compared to RPMA is that it is much faster and can make the necessary scheduling decisions very rapidly during every time slot, while RPMA cannot. In addition, the quality of the scheduling decisions made by AARL outperforms those made by RPMA.

While ML generates much economic value, many of us have problematic relationships with social media and other ML-powered applications. One reason is that ML often optimizes for what we want in the moment, which is easy to quantify but at odds with what is known scientifically about human flourishing. Thus, through its impoverished models of us, ML currently falls far short of its exciting potential, which is for it to help us to reach ours. While there is no consensus on defining human flourishing, from diverse perspectives across psychology, philosophy, and spiritual traditions, love is understood to be one of its primary catalysts. Motivated by this view, this paper explores whether there is a useful conception of love fitting for machines to embody, as historically it has been generative to explore whether a nebulous concept, such as life or intelligence, can be thoughtfully abstracted and reimagined, as in the fields of machine intelligence or artificial life. This paper forwards a candidate conception of machine love, inspired in particular by work in positive psychology and psychotherapy: to provide unconditional support enabling humans to autonomously pursue their own growth and development. Through proof of concept experiments, this paper aims to highlight the need for richer models of human flourishing in ML, provide an example framework through which positive psychology can be combined with ML to realize a rough conception of machine love, and demonstrate that current language models begin to enable embodying qualitative humanistic principles. The conclusion is that though at present ML may often serve to addict, distract, or divide us, an alternative path may be opening up: We may align ML to support our growth, through it helping us to align ourselves towards our highest aspirations.

Ensemble methods have been widely used to improve the performance of machine learning methods in terms of generalization, while they are hard to use in deep learning systems, as training an ensemble of deep neural networks (DNNs) incurs an extremely higher computational overhead of model training. Recently, advanced techniques such as fast geometric ensembling (FGE) and snapshot ensemble have been proposed. These methods can train the model ensembles in the same time as a single model, thus getting around the hurdle of training time. However, their memory overhead for test-time inference remains much higher than single model based methods. Here we propose a parsimonious FGE (PFGE) that employs a lightweight ensemble of higher-performing DNNs, generated by successively-performed stochastic weight averaging procedures. Experimental results across different modern DNN architectures on widely used image datasets CIFAR-$\{10,100\}$ and Imagenet, demonstrate that PFGE can achieve 5x memory efficiency than prior art methods, yet without compromise in generalization performance. Our code is available at https://github.com/ZJLAB-AMMI/PFGE.

By providing explanations for users and system designers to facilitate better understanding and decision making, explainable recommendation has been an important research problem. In this paper, we propose Counterfactual Explainable Recommendation (CountER), which takes the insights of counterfactual reasoning from causal inference for explainable recommendation. CountER is able to formulate the complexity and the strength of explanations, and it adopts a counterfactual learning framework to seek simple (low complexity) and effective (high strength) explanations for the model decision. Technically, for each item recommended to each user, CountER formulates a joint optimization problem to generate minimal changes on the item aspects so as to create a counterfactual item, such that the recommendation decision on the counterfactual item is reversed. These altered aspects constitute the explanation of why the original item is recommended. The counterfactual explanation helps both the users for better understanding and the system designers for better model debugging. Another contribution of the work is the evaluation of explainable recommendation, which has been a challenging task. Fortunately, counterfactual explanations are very suitable for standard quantitative evaluation. To measure the explanation quality, we design two types of evaluation metrics, one from user's perspective (i.e. why the user likes the item), and the other from model's perspective (i.e. why the item is recommended by the model). We apply our counterfactual learning algorithm on a black-box recommender system and evaluate the generated explanations on five real-world datasets. Results show that our model generates more accurate and effective explanations than state-of-the-art explainable recommendation models.

Many real-world data can be modeled as heterogeneous graphs that contain multiple types of nodes and edges. Meanwhile, due to excellent performance, heterogeneous graph neural networks (GNNs) have received more and more attention. However, the existing work mainly focuses on the design of novel GNN models, while ignoring another important issue that also has a large impact on the model performance, namely the missing attributes of some node types. The handcrafted attribute completion requires huge expert experience and domain knowledge. Also, considering the differences in semantic characteristics between nodes, the attribute completion should be fine-grained, i.e., the attribute completion operation should be node-specific. Moreover, to improve the performance of the downstream graph learning task, attribute completion and the training of the heterogeneous GNN should be jointly optimized rather than viewed as two separate processes. To address the above challenges, we propose a differentiable attribute completion framework called AutoAC for automated completion operation search in heterogeneous GNNs. We first propose an expressive completion operation search space, including topology-dependent and topology-independent completion operations. Then, we propose a continuous relaxation schema and further propose a differentiable completion algorithm where the completion operation search is formulated as a bi-level joint optimization problem. To improve the search efficiency, we leverage two optimization techniques: discrete constraints and auxiliary unsupervised graph node clustering. Extensive experimental results on real-world datasets reveal that AutoAC outperforms the SOTA handcrafted heterogeneous GNNs and the existing attribute completion method

Neural forecasting of spatiotemporal time series drives both research and industrial innovation in several relevant application domains. Graph neural networks (GNNs) are often the core component of the forecasting architecture. However, in most spatiotemporal GNNs, the computational complexity scales up to a quadratic factor with the length of the sequence times the number of links in the graph, hence hindering the application of these models to large graphs and long temporal sequences. While methods to improve scalability have been proposed in the context of static graphs, few research efforts have been devoted to the spatiotemporal case. To fill this gap, we propose a scalable architecture that exploits an efficient encoding of both temporal and spatial dynamics. In particular, we use a randomized recurrent neural network to embed the history of the input time series into high-dimensional state representations encompassing multi-scale temporal dynamics. Such representations are then propagated along the spatial dimension using different powers of the graph adjacency matrix to generate node embeddings characterized by a rich pool of spatiotemporal features. The resulting node embeddings can be efficiently pre-computed in an unsupervised manner, before being fed to a feed-forward decoder that learns to map the multi-scale spatiotemporal representations to predictions. The training procedure can then be parallelized node-wise by sampling the node embeddings without breaking any dependency, thus enabling scalability to large networks. Empirical results on relevant datasets show that our approach achieves results competitive with the state of the art, while dramatically reducing the computational burden.

Bayesian bandit algorithms with approximate Bayesian inference have been widely used in real-world applications. However, there is a large discrepancy between the superior practical performance of these approaches and their theoretical justification. Previous research only indicates a negative theoretical result: Thompson sampling could have a worst-case linear regret $\Omega(T)$ with a constant threshold on the inference error measured by one $\alpha$-divergence. To bridge this gap, we propose an Enhanced Bayesian Upper Confidence Bound (EBUCB) framework that can efficiently accommodate bandit problems in the presence of approximate inference. Our theoretical analysis demonstrates that for Bernoulli multi-armed bandits, EBUCB can achieve the optimal regret order $O(\log T)$ if the inference error measured by two different $\alpha$-divergences is less than a constant, regardless of how large this constant is. Our study provides the first theoretical regret bound that is better than $o(T)$ in the setting of constant approximate inference error, to our best knowledge. Furthermore, in concordance with the negative results in previous studies, we show that only one bounded $\alpha$-divergence is insufficient to guarantee a sub-linear regret.

We propose a novel perspective of the attention mechanism by reinventing it as a memory architecture for neural networks, namely Neural Attention Memory (NAM). NAM is a memory structure that is both readable and writable via differentiable linear algebra operations. We explore three use cases of NAM: memory-augmented neural network (MANN), few-shot learning, and efficient long-range attention. First, we design two NAM-based MANNs of Long Short-term Memory (LSAM) and NAM Turing Machine (NAM-TM) that show better computational powers in algorithmic zero-shot generalization tasks compared to other baselines such as differentiable neural computer (DNC). Next, we apply NAM to the N-way K-shot learning task and show that it is more effective at reducing false positives compared to the baseline cosine classifier. Finally, we implement an efficient Transformer with NAM and evaluate it with long-range arena tasks to show that NAM can be an efficient and effective alternative for scaled dot-product attention.

A multitude of work has shown that machine learning-based medical diagnosis systems can be biased against certain subgroups of people. This has motivated a growing number of bias mitigation algorithms that aim to address fairness issues in machine learning. However, it is difficult to compare their effectiveness in medical imaging for two reasons. First, there is little consensus on the criteria to assess fairness. Second, existing bias mitigation algorithms are developed under different settings, e.g., datasets, model selection strategies, backbones, and fairness metrics, making a direct comparison and evaluation based on existing results impossible. In this work, we introduce MEDFAIR, a framework to benchmark the fairness of machine learning models for medical imaging. MEDFAIR covers eleven algorithms from various categories, nine datasets from different imaging modalities, and three model selection criteria. Through extensive experiments, we find that the under-studied issue of model selection criterion can have a significant impact on fairness outcomes; while in contrast, state-of-the-art bias mitigation algorithms do not significantly improve fairness outcomes over empirical risk minimization (ERM) in both in-distribution and out-of-distribution settings. We evaluate fairness from various perspectives and make recommendations for different medical application scenarios that require different ethical principles. Our framework provides a reproducible and easy-to-use entry point for the development and evaluation of future bias mitigation algorithms in deep learning. Code is available at https://github.com/ys-zong/MEDFAIR.

Optimal transport (OT) compares probability distributions by computing a meaningful alignment between their samples. CO-optimal transport (COOT) takes this comparison further by inferring an alignment between features as well. While this approach leads to better alignments and generalizes both OT and Gromov-Wasserstein distances, we provide a theoretical result showing that it is sensitive to outliers that are omnipresent in real-world data. This prompts us to propose unbalanced COOT for which we provably show its robustness to noise in the compared datasets. To the best of our knowledge, this is the first such result for OT methods in incomparable spaces. With this result in hand, we provide empirical evidence of this robustness for the challenging tasks of heterogeneous domain adaptation with and without varying proportions of classes and simultaneous alignment of samples and features across single-cell measurements.

Federated Learning (FL) is a nascent decentralized learning framework under which a massive collection of heterogeneous clients collaboratively train a model without revealing their local data. Scarce communication, privacy leakage, and Byzantine attacks are the key bottlenecks of system scalability. In this paper, we focus on communication-efficient distributed (stochastic) gradient descent for non-convex optimization, a driving force of FL. We propose two algorithms, named {\em Adaptive Stochastic Sign SGD (Ada-StoSign)} and {\em $\beta$-Stochastic Sign SGD ($\beta$-StoSign)}, each of which compresses the local gradients into bit vectors. To handle unbounded gradients, Ada-StoSign uses a novel norm tracking function that adaptively adjusts a coarse estimation on the $\ell_{\infty}$ of the local gradients - a key parameter used in gradient compression. We show that Ada-StoSign converges in expectation with a rate $O(\log T/\sqrt{T} + 1/\sqrt{M})$, where $M$ is the number of clients. To the best of our knowledge, when $M$ is sufficiently large, Ada-StoSign outperforms the state-of-the-art sign-based method whose convergence rate is $O(T^{-1/4})$. Under bounded gradient assumption, $\beta$-StoSign achieves quantifiable Byzantine resilience and privacy assurances, and works with partial client participation and mini-batch gradients which could be unbounded. We corroborate and complement our theories by experiments on MNIST and CIFAR-10 datasets.

Federated Learning (FL) is a learning paradigm that protects privacy by keeping client data on edge devices. However, optimizing FL in practice can be difficult due to the diversity and heterogeneity of the learning system. Despite recent research efforts to improve the optimization of heterogeneous data, the impact of time-evolving heterogeneous data in real-world scenarios, such as changing client data or intermittent clients joining or leaving during training, has not been studied well. In this work, we propose Continual Federated Learning (CFL), a flexible framework for capturing the time-evolving heterogeneity of FL. CFL can handle complex and realistic scenarios, which are difficult to evaluate in previous FL formulations, by extracting information from past local data sets and approximating local objective functions. We theoretically demonstrate that CFL methods have a faster convergence rate than FedAvg in time-evolving scenarios, with the benefit depending on approximation quality. Through experiments, we show that our numerical findings match the convergence analysis and that CFL methods significantly outperform other state-of-the-art FL baselines.

Heavy Ball (HB) nowadays is one of the most popular momentum methods in non-convex optimization. It has been widely observed that incorporating the Heavy Ball dynamic in gradient-based methods accelerates the training process of modern machine learning models. However, the progress on establishing its theoretical foundation of acceleration is apparently far behind its empirical success. Existing provable acceleration results are of the quadratic or close-to-quadratic functions, as the current techniques of showing HB's acceleration are limited to the case when the Hessian is fixed. In this work, we develop some new techniques that help show acceleration beyond quadratics, which is achieved by analyzing how the change of the Hessian at two consecutive time points affects the convergence speed. Based on our technical results, a class of Polyak-\L{}ojasiewicz (PL) optimization problems for which provable acceleration can be achieved via HB is identified. Moreover, our analysis demonstrates a benefit of adaptively setting the momentum parameter.

In recent years, graph representation learning has achieved remarkable success while suffering from low-quality data problems. As a mature technology to improve data quality in computer vision, data augmentation has also attracted increasing attention in graph domain. For promoting the development of this emerging research direction, in this survey, we comprehensively review and summarize the existing graph data augmentation (GDAug) techniques. Specifically, we first summarize a variety of feasible taxonomies, and then classify existing GDAug studies based on fine-grained graph elements. Furthermore, for each type of GDAug technique, we formalize the general definition, discuss the technical details, and give schematic illustration. In addition, we also summarize common performance metrics and specific design metrics for constructing a GDAug evaluation system. Finally, we summarize the applications of GDAug from both data and model levels, as well as future directions. Latest advances in GDAug are summarized in a GitHub repository: https://github.com/jjzhou012/GDAug-Survey.

In Federated Learning (FL), models are as fragile as centrally trained models against adversarial examples. However, the adversarial robustness of federated learning remains largely unexplored. This paper casts light on the challenge of adversarial robustness of federated learning. To facilitate a better understanding of the adversarial vulnerability of the existing FL methods, we conduct comprehensive robustness evaluations on various attacks and adversarial training methods. Moreover, we reveal the negative impacts induced by directly adopting adversarial training in FL, which seriously hurts the test accuracy, especially in non-IID settings. In this work, we propose a novel algorithm called Decision Boundary based Federated Adversarial Training (DBFAT), which consists of two components (local re-weighting and global regularization) to improve both accuracy and robustness of FL systems. Extensive experiments on multiple datasets demonstrate that DBFAT consistently outperforms other baselines under both IID and non-IID settings.

We consider a dynamic assortment selection problem where a seller has a fixed inventory of $N$ substitutable products and faces an unknown demand that arrives sequentially over $T$ periods. In each period, the seller needs to decide on the assortment of products (of cardinality at most $K$) to offer to the customers. The customer's response follows an unknown multinomial logit model (MNL) with parameters $v$. The goal of the seller is to maximize the total expected revenue given the fixed initial inventory of $N$ products. We give a policy that achieves a regret of $\tilde O\Big(K \sqrt{KN T}\Big(\sqrt{v_{\text{max}}} + \frac{1}{q_{\text{min}}}\text{OPT}\Big)\Big)$, where $v_{\text{max}}\leq 1$ is the maximum utility for any product and $q_{\text{min}}$ the minimum inventory level, under a mild assumption on the model parameters. In particular, our policy achieves a near-optimal $\tilde O(\sqrt{T})$ regret in a large-inventory setting. Our policy builds upon the UCB-based approach for MNL-bandit without inventory constraints in [1] and addresses the inventory constraints through an exponentially sized LP for which we present a tractable approximation while keeping the $\tilde O(\sqrt{T})$ regret bound.

We propose a synthetic reasoning task, LEGO (Learning Equality and Group Operations), that encapsulates the problem of following a chain of reasoning, and we study how the Transformer architectures learn this task. We pay special attention to data effects such as pretraining (on seemingly unrelated NLP tasks) and dataset composition (e.g., differing chain length at training and test time), as well as architectural variants such as weight-tied layers or adding convolutional components. We study how the trained models eventually succeed at the task, and in particular, we manage to understand some of the attention heads as well as how the information flows in the network. In particular, we have identified a novel \emph{association} pattern that globally attends only to identical tokens. Based on these observations we propose a hypothesis that here pretraining helps for LEGO tasks due to certain structured attention patterns, and we experimentally verify this hypothesis. We also observe that in some data regime the trained transformer finds ``shortcut" solutions to follow the chain of reasoning, which impedes the model's robustness, and moreover we propose ways to prevent it. Motivated by our findings on structured attention patterns, we propose the LEGO attention module, a drop-in replacement for vanilla attention heads. This architectural change significantly reduces Flops and maintains or even \emph{improves} the model's performance at large-scale pretraining.

Vision Transformer models, such as ViT, Swin Transformer, and Transformer-in-Transformer, have recently gained significant traction in computer vision tasks due to their ability to capture the global relation between features which leads to superior performance. However, they are compute-heavy and difficult to deploy in resource-constrained edge devices. Existing hardware accelerators, including those for the closely-related BERT transformer models, do not target highly resource-constrained environments. In this paper, we address this gap and propose ViTA - a configurable hardware accelerator for inference of vision transformer models, targeting resource-constrained edge computing devices and avoiding repeated off-chip memory accesses. We employ a head-level pipeline and inter-layer MLP optimizations, and can support several commonly used vision transformer models with changes solely in our control logic. We achieve nearly 90% hardware utilization efficiency on most vision transformer models, report a power of 0.88W when synthesised with a clock of 150 MHz, and get reasonable frame rates - all of which makes ViTA suitable for edge applications.

The effects of traffic congestion are widespread and are an impedance to everyday life. Piecewise constant driving policies have shown promise in helping mitigate traffic congestion in simulation environments. However, no works currently test these policies in situations involving real human users. Thus, we propose to evaluate these policies through the use of a shared control framework in a collaborative experiment with the human driver and the driving policy aiming to co-operatively mitigate congestion. We intend to use the CARLA simulator alongside the Flow framework to conduct user studies to evaluate the affect of piecewise constant driving policies. As such, we present our in-progress work in building our framework and discuss our proposed plan on evaluating this framework through a human-in-the-loop simulation user study.

As the field of Graph Neural Networks (GNN) continues to grow, it experiences a corresponding increase in the need for large, real-world datasets to train and test new GNN models on challenging, realistic problems. Unfortunately, such graph datasets are often generated from online, highly privacy-restricted ecosystems, which makes research and development on these datasets hard, if not impossible. This greatly reduces the amount of benchmark graphs available to researchers, causing the field to rely only on a handful of publicly-available datasets. To address this problem, we introduce a novel graph generative model, Computation Graph Transformer (CGT) that learns and reproduces the distribution of real-world graphs in a privacy-controlled way. More specifically, CGT (1) generates effective benchmark graphs on which GNNs show similar task performance as on the source graphs, (2) scales to process large-scale graphs, (3) incorporates off-the-shelf privacy modules to guarantee end-user privacy of the generated graph. Extensive experiments across a vast body of graph generative models show that only our model can successfully generate privacy-controlled, synthetic substitutes of large-scale real-world graphs that can be effectively used to benchmark GNN models.

Data augmentation (DA) has become a de facto solution to expand training data size for deep learning. With the proliferation of deep models for time series analysis, various time series DA techniques are proposed in the literature, e.g., cropping-, warping-, flipping-, and mixup-based methods. However, these augmentation methods mainly apply to time series classification and anomaly detection tasks. In time series forecasting (TSF), we need to model the fine-grained temporal relationship within time series segments to generate accurate forecasting results given data in a look-back window. Existing DA solutions in the time domain would break such a relationship, leading to poor forecasting accuracy. To tackle this problem, this paper proposes simple yet effective frequency domain augmentation techniques that ensure the semantic consistency of augmented data-label pairs in forecasting, named FrAug. We conduct extensive experiments on eight widely-used benchmarks with several state-of-the-art TSF deep models. Our results show that FrAug can boost the forecasting accuracy of TSF models in most cases. Moreover, we show that FrAug enables models trained with 1\% of the original training data to achieve similar performance to the ones trained on full training data, which is particularly attractive for cold-start forecasting. Finally, we show that applying test-time training with FrAug greatly improves forecasting accuracy for time series with significant distribution shifts, which often occurs in real-life TSF applications. Our code is available at https://anonymous.4open.science/r/Fraug-more-results-1785.

In multi-agent reinforcement learning (MARL), independent learners are those that do not observe the actions of other agents in the system. Due to the decentralization of information, it is challenging to design independent learners that drive play to equilibrium. This paper investigates the feasibility of using satisficing dynamics to guide independent learners to approximate equilibrium in stochastic games. For $\epsilon \geq 0$, an $\epsilon$-satisficing policy update rule is any rule that instructs the agent to not change its policy when it is $\epsilon$-best-responding to the policies of the remaining players; $\epsilon$-satisficing paths are defined to be sequences of joint policies obtained when each agent uses some $\epsilon$-satisficing policy update rule to select its next policy. We establish structural results on the existence of $\epsilon$-satisficing paths into $\epsilon$-equilibrium in both symmetric $N$-player games and general stochastic games with two players. We then present an independent learning algorithm for $N$-player symmetric games and give high probability guarantees of convergence to $\epsilon$-equilibrium under self-play. This guarantee is made using symmetry alone, leveraging the previously unexploited structure of $\epsilon$-satisficing paths.

To reduce the human annotation efforts, the programmatic weak supervision (PWS) paradigm abstracts weak supervision sources as labeling functions (LFs) and involves a label model to aggregate the output of multiple LFs to produce training labels. Most existing label models require a parameter learning step for each dataset. In this work, we present a hyper label model that (once learned) infers the ground-truth labels for each dataset in a single forward pass without dataset-specific parameter learning. The hyper label model approximates an optimal analytical (yet computationally intractable) solution of the ground-truth labels. We train the model on synthetic data generated in the way that ensures the model approximates the analytical optimal solution, and build the model upon Graph Neural Network (GNN) to ensure the model prediction being invariant (or equivariant) to the permutation of LFs (or data points). On 14 real-world datasets, our hyper label model outperforms the best existing methods in both accuracy (by 1.4 points on average) and efficiency (by six times on average). Our code is available at https://github.com/wurenzhi/hyper_label_model

Trajectory similarity measures act as query predicates in trajectory databases, making them the key player in determining the query results. They also have a heavy impact on the query efficiency. An ideal measure should have the capability to accurately evaluate the similarity between any two trajectories in a very short amount of time. Towards this aim, we propose a contrastive learning-based trajectory modeling method named TrajCL. We present four trajectory augmentation methods and a novel dual-feature self-attention-based trajectory backbone encoder. The resultant model can jointly learn both the spatial and the structural patterns of trajectories. Our model does not involve any recurrent structures and thus has a high efficiency. Besides, our pre-trained backbone encoder can be fine-tuned towards other computationally expensive measures with minimal supervision data. Experimental results show that TrajCL is consistently and significantly more accurate than the state-of-the-art trajectory similarity measures. After fine-tuning, i.e., to serve as an estimator for heuristic measures, TrajCL can even outperform the state-of-the-art supervised method by up to 56% in the accuracy for processing trajectory similarity queries.

Bilevel optimization plays an essential role in many machine learning tasks, ranging from hyperparameter optimization to meta-learning. Existing studies on bilevel optimization, however, focus on either centralized or synchronous distributed setting. The centralized bilevel optimization approaches require collecting massive amount of data to a single server, which inevitably incur significant communication expenses and may give rise to data privacy risks. Synchronous distributed bilevel optimization algorithms, on the other hand, often face the straggler problem and will immediately stop working if a few workers fail to respond. As a remedy, we propose Asynchronous Distributed Bilevel Optimization (ADBO) algorithm. The proposed ADBO can tackle bilevel optimization problems with both nonconvex upper-level and lower-level objective functions, and its convergence is theoretically guaranteed. Furthermore, it is revealed through theoretic analysis that the iteration complexity of ADBO to obtain the $\epsilon$-stationary point is upper bounded by $\mathcal{O}(\frac{1}{{{\epsilon ^2}}})$. Thorough empirical studies on public datasets have been conducted to elucidate the effectiveness and efficiency of the proposed ADBO.

In the privacy-utility tradeoff of a model trained on benchmark language and vision tasks, remarkable improvements have been widely reported with the use of pretraining on publicly available data. This is in part due to the benefits of transfer learning, which is the standard motivation for pretraining in non-private settings. However, the stark contrast in the improvement achieved through pretraining under privacy compared to non-private settings suggests that there may be a deeper, distinct cause driving these gains. To explain this phenomenon, we hypothesize that the non-convex loss landscape of a model training necessitates an optimization algorithm to go through two phases. In the first, the algorithm needs to select a good "basin" in the loss landscape. In the second, the algorithm solves an easy optimization within that basin. The former is a harder problem to solve with private data, while the latter is harder to solve with public data due to a distribution shift or data scarcity. Guided by this intuition, we provide theoretical constructions that provably demonstrate the separation between private training with and without public pretraining. Further, systematic experiments on CIFAR10 and LibriSpeech provide supporting evidence for our hypothesis.

Decentralized finance (DeFi) has seen a tremendous increase in interest in the past years with many types of protocols, such as lending protocols or automated market-makers (AMMs) These protocols are typically controlled using off-chain governance, where token holders can vote to modify different parameters of the protocol. Up till now, however, choosing these parameters has been a manual process, typically done by the core team behind the protocol. In this work, we model a DeFi environment and propose a semi-automatic parameter adjustment approach with deep Q-network (DQN) reinforcement learning. Our system automatically generates intuitive governance proposals to adjust these parameters with data-driven justifications. Our evaluation results demonstrate that a learning-based on-chain governance procedure is more reactive, objective, and efficient than the existing manual approach.

This paper is concerned with the statistical analysis of matrix-valued time series. These are data collected over a network of sensors (typically a set of spatial locations) along time, where a vector of features is observed per time instant per sensor. Thus each sensor is characterized by a vectorial time series. We would like to identify the dependency structure among these sensors and represent it by a graph. When there is only one feature per sensor, the vector auto-regressive models have been widely adapted to infer the structure of Granger causality. The resulting graph is referred to as causal graph. Our first contribution is then extending VAR models to matrix-variate models to serve the purpose of graph learning. Secondly, we propose two online procedures respectively in low and high dimensions, which can update quickly the estimates of coefficients when new samples arrive. In particular in high dimensional regime, a novel Lasso-type is introduced and we develop its homotopy algorithms for the online learning. We also provide an adaptive tuning procedure for the regularization parameter. Lastly, we consider that, the application of AR models onto data usually requires detrending the raw data, however, this step is forbidden in online context. Therefore, we augment the proposed AR models by incorporating trend as extra parameter, and then adapt the online algorithms to the augmented data models, which allow us to simultaneously learn the graph and trend from streaming samples. In this work, we consider primarily the periodic trend. Numerical experiments using both synthetic and real data are performed, whose results support the effectiveness of the proposed methods.